Basic information
- Standard SMILES
O=C([O-])[C@@H](O)c1ccccc1- InChIKey
IWYDHOAUDWTVEP-ZETCQYMHSA-M- Molecular formula
- C8H7O3-
- Average molar mass
- 151.14 g/mol
- Monoisotopic mass
- 151.03951908
Names & identifiers
- Preferred name
- (S)-Mandelate
- IUPAC
- (2S)-2-hydroxy-2-phenylacetate
Names & synonyms
(S)-Mandelate(2S)-2-hydroxy-2-phenylacetate(2S)-hydroxy(phenyl)acetate(S)-2-Hydroxy-2-phenylacetatel-mandelateL--mandelatel(+)-mandelate(5)-mandelateCHEBI:17756IWYDHOAUDWTVEP-ZETCQYMHSA-MBDBM50129063BDBM50129068
Show more names
Q27102584
Database identifiers
- PubChem CID
- 5460348
- ChEBI
CHEBI:17756- Nikkaji
- J361.897H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- -1
- Complexity
- 133
Related reactions
13 records
Compound notes
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