(1R,5S)-2-[(Benzyloxy)carbonyl]-5-hydroxycyclohexane-1-carboxylic acid

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Basic information

CAS: 1357348-23-2
Standard SMILES: O=C(OCc1ccccc1)C1CC[C@H](O)C[C@H]1C(=O)O
InChIKey: QGQFLUBTJWMRCL-IAMFDIQRSA-N
Molecular formula: C15H18O5
Average molar mass: 278.3 g/mol
Monoisotopic mass: 278.11542367

Names & identifiers

Preferred name: (1R,5S)-2-[(Benzyloxy)carbonyl]-5-hydroxycyclohexane-1-carboxylic acid
IUPAC: cis-(1R,5S)-5-hydroxy-2-phenylmethoxycarbonylcyclohexane-1-carboxylic acid

Names & synonyms

DTXSID701137699(1R,5S)-2-[(BENZYLOXY)CARBONYL]-5-HYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID1,2-Cyclohexanedicarboxylic acid, 4-hydroxy-, 1-(phenylmethyl) ester, (2R,4S)-1357348-23-2

Database identifiers

CAS: 1357348-23-2
PubChem CID: 71305697
DTXSID: DTXSID701137699

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 83.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 348

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