Call +1 (833) 552-7181 or Contact us Earn $25 in coupons on your first order with Aladdin!
Toggle Nav
My Cart
Search
Advanced Search
Menu
Sign In
྾

Methyl [3-O-methyl-2,6-di-O-sulfonato-alpha-D-glucopyranosyl]-(1->4)-[3-O-methyl-beta-D-glucopyranosyluronate]-(1->4)[2,3,6-tri-O-sulfonato-alpha-D-glucopyranosyl]-(1->4)-[3-O-methyl-2-O-sulfonato-alpha-L-idopyranosyluronate]-(1->4)-2,3,6-tri-O-sulfonato-alpha-D-glucopyranoside sodium salt

main product photo

ID: ALA5176075

PubChem CID: 168274929

Max Phase: Preclinical

Molecular Formula: C34H45Na11O55S9

Molecular Weight: 1633.37

Associated Items:

Bioactivity Summary Target Summary Assay Summary
This compound is not in our inventory system

Names and Identifiers

Canonical SMILES:  CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](OC)[C@H]5OS(=O)(=O)[O-])[C@H](OC)[C@H]4O)[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OC)[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Standard InChI:  InChI=1S/C34H56O55S9.11Na/c1-68-15-11(35)8(5-72-90(41,42)43)75-32(24(15)86-95(56,57)58)80-18-16(69-2)12(36)30(82-22(18)28(37)38)78-13-10(7-74-92(47,48)49)77-33(27(89-98(65,66)67)21(13)85-94(53,54)55)81-19-17(70-3)25(87-96(59,60)61)34(83-23(19)29(39)40)79-14-9(6-73-91(44,45)46)76-31(71-4)26(88-97(62,63)64)20(14)84-93(50,51)52;;;;;;;;;;;/h8-27,30-36H,5-7H2,1-4H3,(H,37,38)(H,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;;;;;;;;/q;11*+1/p-11/t8-,9-,10-,11-,12-,13-,14-,15+,16-,17+,18+,19+,20+,21+,22+,23-,24-,25-,26-,27-,30-,31+,32-,33-,34-;;;;;;;;;;;/m1.........../s1

Standard InChI Key:  VJYVJHFFZGDXSK-DFXGRGEESA-C

Molfile:  

     RDKit          2D

109102  0  0  0  0  0  0  0  0999 V2000
    6.7510    3.3619    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
   -7.6309   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2184    0.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3933    0.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9808   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3933   -0.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2184   -0.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9808   -1.6252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3933   -2.3396    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6308   -1.6252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4557   -1.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4558   -0.1964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6308    1.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2184    1.9466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6308    2.6610    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2184    3.3753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3452    2.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3452    3.0734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9808   -3.0539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1076   -1.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1900   -2.5531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3310   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9186    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0935    0.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6809   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0935   -0.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9186   -0.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6810   -1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3309   -1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1558   -0.1964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3309    1.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9186    1.9466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1557   -1.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6186   -3.0540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063   -2.3397    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5903   -2.5531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6186   -1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063   -0.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6186   -0.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0311   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8560   -0.1964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6186    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063    0.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187   -0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310    1.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6186    1.9466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310    2.6609    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7454    2.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7454    3.0734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6186    3.3752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079   -1.9272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1558    1.2323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2684   -2.3397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8559   -1.6253    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5703   -1.2129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8559   -0.8005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2184   -3.0541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8060   -2.3397    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0093   -2.5532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2184   -1.6254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8060   -0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9808   -0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5685   -1.6254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7436   -1.6254    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3312   -2.3397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0293   -1.2129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7436   -0.8006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5683   -0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7434   -0.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9187   -0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5061   -0.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9186   -1.6254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6810   -0.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2687   -1.6254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437   -1.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2684   -0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4435   -0.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6810    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5061    0.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2687    1.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437    1.2322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6810    1.9465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9808    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8060    0.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2185   -0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0433   -0.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5685    1.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9808    1.9465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5685    2.6609    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    2.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    3.0734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9808    3.3752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -1.9273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4558    0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7918   -1.9272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5061   -2.3397    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7093   -2.5532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9186   -3.0540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6967    3.7113    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
   -5.9107   -3.6238    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
   -4.0333    2.6633    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
   -0.0165    3.7330    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    2.0573    2.6196    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
   -2.0030   -2.7724    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    0.5073   -3.7330    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    3.4763   -3.5801    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    4.7425   -2.6196    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    7.9954   -3.3400    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
  2  3  1  0
  4  3  1  0
  5  4  1  0
  6  5  1  0
  2  7  1  0
  7  6  1  0
  6  8  1  6
  8  9  1  0
  7 10  1  1
 10 11  1  0
  2 12  1  6
  3 13  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 15 18  2  0
  9 19  1  0
  9 20  2  0
  9 21  2  0
 22 23  1  0
 24 23  1  0
 25 24  1  0
 26 25  1  0
 22 27  1  0
 27 26  1  0
 26 28  1  6
 27 29  1  1
 22 30  1  6
  5 30  1  6
 23 31  1  1
 31 32  1  0
 29 33  1  0
 35 34  1  0
 35 36  2  0
 37 35  1  0
 38 37  1  6
 39 38  1  0
 40 39  1  0
 40 41  1  6
 25 41  1  1
 40 42  1  0
 43 42  1  0
 38 44  1  0
 44 43  1  0
 42 45  1  1
 45 46  1  0
 46 47  1  0
 47 48  2  0
 47 49  2  0
 47 50  1  0
 35 51  2  0
 31 52  2  0
 54 53  1  0
 55 54  1  0
 39 55  1  1
 54 56  2  0
 54 57  2  0
 59 58  1  0
 59 60  2  0
 61 59  1  0
 62 61  1  6
 63 62  1  0
 63 64  1  1
 64 65  1  0
 65 66  1  0
 65 67  2  0
 65 68  2  0
 69 63  1  0
 69 70  1  6
 71 70  1  1
 72 71  1  0
 72 73  1  6
 74 72  1  0
 74 75  1  1
 75 76  1  0
 77 74  1  0
 77 78  1  6
 44 78  1  6
 77 79  1  0
 71 80  1  0
 80 79  1  0
 79 81  1  6
 81 82  2  0
 81 83  1  0
 69 84  1  0
 85 84  1  0
 62 86  1  0
 86 85  1  0
 86 87  1  6
 84 88  1  1
 88 89  1  0
 89 90  1  0
 90 91  2  0
 90 92  2  0
 90 93  1  0
 59 94  2  0
 87 95  1  0
 97 96  2  0
 97 73  1  0
 97 98  2  0
 97 99  1  0
M  CHG  8   1   1  16  -1  19  -1  32  -1  34  -1  50  -1  53  -1  58  -1
M  CHG  8  66  -1  83  -1  93  -1  99  -1 100   1 101   1 102   1 103   1
M  CHG  6 104   1 105   1 106   1 107   1 108   1 109   1
M  END

Associated Targets(Human)

Plasma (7708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
F10 Tclin Coagulation factor X (9693 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Topical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 1633.37Molecular Weight (Monoisotopic): 1631.9071AlogP: ┄#Rotatable Bonds: ┄
Polar Surface Area: ┄Molecular Species: ┄HBA: ┄HBD: ┄
#RO5 Violations: ┄HBA (Lipinski): ┄HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: ┄CX LogD: ┄
Aromatic Rings: ┄Heavy Atoms: ┄QED Weighted: ┄Np Likeness Score: ┄

References

1. Zhou Z, Zhang L, Wu X, Luo L, Wu J, Xu D, Wu M..  (2022)  Chemical synthesis and pharmacological properties of heparin pentasaccharide analogues.,  234  [PMID:35279609] [10.1016/j.ejmech.2022.114256]

Source

Source(1):

🔙[Back to Compounds]
Privacy Policy Website Terms of Use Return policy Terms and Conditions of Sale Cookie Policy Sales Policy
Products are chemical reagents for research use only and are not intended for human use. We do not sell to patients.
Copyright © 2023-present Aladdin Scientific Corp . All rights reserved.