Molecule ID: 126456506

IUPAC Name: (3S)-3,4-dihydroxy-2-oxobutanoate

Description: The molecule is a hydroxy monocarboxylic acid anion that is the conjugate base of (S)-3,4-dihydroxy-2-oxobutanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a hydroxy monocarboxylic acid anion and a 2-oxo monocarboxylic acid anion. It is a conjugate base of a (S)-3,4-dihydroxy-2-oxobutanoic acid. It is an enantiomer of a (R)-3,4-dihydroxy-2-oxobutanoate.

SMILES: O=C([O-])C(=O)[C@@H](O)CO

SELFIES: [O][=C][Branch1][C][O-1][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][O]

InChI: InChI=1S/C4H6O5/c5-1-2(6)3(7)4(8)9/h2,5-6H,1H2,(H,8,9)/p-1/t2-/m0/s1

Molecular Properties:
- Polar Surface Area: 97.7 Ų
- LogP: -1.0