Periodate

ID: ALA1161637

Cas Number: 13444-71-8

PubChem CID: 65185

Max Phase: Preclinical

Molecular Formula: HIO4

Molecular Weight: 191.91

Molecule Type: Small molecule

Names and Identifiers

Synonyms: Periodate | Metaperiodic acid|13444-71-8|Periodic acid (HIO4)|13445-51-7|CHEBI:29149|D4B1481B2J|Periodic acid (HIO4),dihydrate (8CI,9CI)|Ueberiodsaeure|HIO4|Periodsaeure|UNII-D4B1481B2J|tetraoxoiodic acid|EINECS 236-585-6|hydroxidotrioxidoiodine|hydrogen tetraoxoiodate|HOIO3|hydroxy-lambda(7)-iodanetrione|CHEMBL1161637|[IO3(OH)]|KHIWWQKSHDUIBK-UHFFFAOYSA-N|DTXSID701015530|AKOS024437459|FT-0689178|NS00100217|A800990|Q27110318|Q27887090|PEJ

Canonical SMILES:  [O-][I+3]([O-])([O-])O

Standard InChI:  InChI=1S/HIO4/c2-1(3,4)5/h(H,2,3,4,5)

Standard InChI Key:  KHIWWQKSHDUIBK-UHFFFAOYSA-N

Molfile:  

     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  2  0
  1  4  2  0
  1  5  2  0
M  END

Alternative Forms

1. Parent:

   

   ALA1161637

   PERIODATE

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 191.91

Molecular Weight (Monoisotopic): 191.8920

AlogP: -7.12

#Rotatable Bonds: ┄

Polar Surface Area: 89.41

Molecular Species: ┄

HBA: 4

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 4

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: ┄

CX LogD: ┄

Aromatic Rings: ┄

Heavy Atoms: 5

QED Weighted: 0.39

Np Likeness Score: -0.02

References

1. Innocenti A, Vullo D, Scozzafava A, Supuran CT..  (2005)  Carbonic anhydrase inhibitors. Inhibition of isozymes I, II, IV, V, and IX with anions isosteric and isoelectronic with sulfate, nitrate, and carbonate.,  15  (3): [PMID:15664814] [10.1016/j.bmcl.2004.11.056]

Source

Source(1):

• Scientific Literature