Molecule ID: 134692097

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

Description: The molecule is major microspecies at pH 7.3 It is a hydroxy monocarboxylic acid anion and a phosphoric ester. It derives from a 3-oxoisoapionate.

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

SELFIES: [O][=C][Branch1][C][O-1][C][Branch1][C][O][Branch1][Ring1][C][O][C][=Branch1][C][=O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1]

InChI: InChI=1S/C5H9O9P/c6-2-5(10,4(8)9)3(7)1-14-15(11,12)13/h6,10H,1-2H2,(H,8,9)(H2,11,12,13)/p-3

Molecular Properties:
- Polar Surface Area: 170.0 Ų
- LogP: -3.0