Molecule ID: 46926168

IUPAC Name: (2S)-2-amino-3-oxo-4-phosphonatooxybutanoate

Description: The molecule is a triply-charged organophosphate oxoanion arising from deprotonation of the carboxylic acid and phosphate OH groups of (2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid; major species at pH 7.3. It is an organophosphate oxoanion and an alpha-amino-acid anion. It is a conjugate base of a (2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid and a (2S)-2-ammonio-3-oxo-4-(phosphonatooxy)butanoate(2-).

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

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

InChI: InChI=1S/C4H8NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h3H,1,5H2,(H,7,8)(H2,9,10,11)/p-3/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: -4.7