Molecule ID: 86289382

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

Description: The molecule is an organophosphate oxoanion that is a dianionic form of (2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is an alpha-amino-acid anion and an organophosphate oxoanion. It is a conjugate acid of a (2S)-2-amino-3-oxo-4-(phosphonatooxy)butanoate(3-).

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]

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-2/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 157.0 Ų
- LogP: -4.7