Molecule ID: 126456490

IUPAC Name: (2R)-2-hydroxy-3-oxo-4-phosphonatooxybutanoate

Description: The molecule is a hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and phosphate OH groups of (R)-2-hydroxy-3-oxo-4-(phosphonooxy)butanoic acid; major species at pH 7.3. It is a hydroxy monocarboxylic acid anion, an organophosphate oxoanion and a 3-oxo monocarboxylic acid anion. It is a conjugate base of a (R)-2-hydroxy-3-oxo-4-(phosphonooxy)butanoic acid. It is an enantiomer of a (S)-2-hydroxy-3-oxo-4-(phosphonatooxy)butanoate(3-).

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

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

InChI: InChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h3,6H,1H2,(H,7,8)(H2,9,10,11)/p-3/t3-/m1/s1

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: -2.2