Molecule ID: 25245217

IUPAC Name: 2-oxo-3-sulfonatopropanoate

Description: The molecule is an organosulfonate oxoanion and 2-oxo monocarboxylic acid anion that is obtained from 3-sulfopyruvic acid by deprotonation of the carboxylic acid and sulfonic acid groups; major species at pH 7.3. It has a role as a human metabolite. It is a 2-oxo monocarboxylic acid anion and an alkanesulfonate oxoanion. It is a conjugate base of a 3-sulfopyruvic acid.

SMILES: O=C([O-])C(=O)CS(=O)(=O)[O-]

SELFIES: [O][=C][Branch1][C][O-1][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1]

InChI: InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)/p-2

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: -0.8