Molecule ID: 53731414

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

Description: The molecule is a ketoaldonic acid that is butyric acid carrying an oxo substituent at position 2 as well as two hydroxy substituents at positions 3 and 4 (the S-enantiomer). It is a dihydroxy monocarboxylic acid, a 2-oxo monocarboxylic acid, a ketoaldonic acid and a secondary alpha-hydroxy ketone. It derives from a butyric acid. It is a conjugate acid of a (S)-3,4-dihydroxy-2-oxobutanoate. It is an enantiomer of a (R)-3,4-dihydroxy-2-oxobutanoic acid.

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

SELFIES: [O][=C][Branch1][C][O][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)/t2-/m0/s1

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: -1.6