(1S,3S,4R)-3,4-dihydroxycyclohexane-1-carboxylic acid
Basic information
- CAS
31540-11-1- Standard SMILES
O=C(O)[C@H]1CC[C@@H](O)[C@@H](O)C1- InChIKey
PTPROPUVXIZJPL-JKUQZMGJSA-N- Molecular formula
- C7H12O4
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.07355886
Names & identifiers
- Preferred name
- (1S,3S,4R)-3,4-dihydroxycyclohexane-1-carboxylic acid
- IUPAC
- (1S,3S,4R)-3,4-dihydroxycyclohexane-1-carboxylic acid
Names & synonyms
31540-11-1(1S,3S,4R)-3,4-dihydroxycyclohexane-1-carboxylic acidcis-3,4-Dihydroxycyclohexanecarboxylic acid3,4-dihydroxycyclohexane-1-carboxylic acidSCHEMBL30839239DTXSID00953522(1alpha,3alpha,4alpha)-3,4-Dihydroxycyclohexanecarboxylic acid3,4-Dihydroxycyclohexanecarboxylic acid (1alpha,3alpha,4alpha)-Cyclohexanecarboxylic acid, 3,4-dihydroxy-, (1alpha,3alpha,4alpha)-
Database identifiers
- CAS
31540-11-1- PubChem CID
- 147389
- DTXSID
DTXSID00953522
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
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Compound notes
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