Molecule ID: 25245693

IUPAC Name: 2-amino-3-oxo-4-phosphonatooxybutanoate

Description: The molecule is trianion of 2-amino-3-oxo-4-(phosphonooxy)butanoic acid arising from deprotonation of carboxylic acid and phosphate functions; major species at pH 7.3. It is an organophosphate oxoanion and a monocarboxylic acid anion. It is a conjugate base of a 2-amino-3-oxo-4-(phosphonooxy)butanoic acid.

SMILES: NC(C(=O)[O-])C(=O)COP(=O)([O-])[O-]

SELFIES: [N][C][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

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