(1R,3R,4S,5R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-1-(hydroxymethyl)cyclohexane-1,3-diol

ID: ALA5173319

PubChem CID: 168276440

Max Phase: Preclinical

Molecular Formula: C39H50O5Si2

Molecular Weight: 655.00

Names and Identifiers

Canonical SMILES:  CC(C)(C)[Si](O[C@H]1[C@H](O)C[C@](O)(CO)C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1

Standard InChI:  InChI=1S/C39H50O5Si2/c1-37(2,3)45(30-19-11-7-12-20-30,31-21-13-8-14-22-31)43-35-28-39(42,29-40)27-34(41)36(35)44-46(38(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-26,34-36,40-42H,27-29H2,1-6H3/t34-,35-,36+,39-/m1/s1

Standard InChI Key:  LVKKRKKKISMYSS-RDKVZNNQSA-N

Molfile:  

 
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M  END

Alternative Forms

1. Parent:

   

   ALA5173319

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 655.00

Molecular Weight (Monoisotopic): 654.3197

AlogP: ┄

#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. Thakur A, Faujdar C, Sharma R, Sharma S, Malik B, Nepali K, Liou JP..  (2022)  Glioblastoma: Current Status, Emerging Targets, and Recent Advances.,  65  (13.0): [PMID:35786935] [10.1021/acs.jmedchem.1c01946]

Source

Source(1):

• Scientific Literature