Molecule ID: 126456476

IUPAC Name: (2R)-2-hydroxy-2-[[hydroxy(oxido)phosphoryl]methyl]butanedioate

Description: The molecule is a dicarboxylic acid anion obtained by deprotonation of the two carboxy and one of the phosphonate OH groups of (R)-2-(phosphonomethyl)malic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a dicarboxylic acid anion and an organophosphonate oxoanion. It is a conjugate base of a (R)-2-(phosphonomethyl)malic acid.

SMILES: O=C([O-])C[C@](O)(CP(=O)([O-])O)C(=O)[O-]

SELFIES: [O][=C][Branch1][C][O-1][C][C@][Branch1][C][O][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][O-1][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C5H9O8P/c6-3(7)1-5(10,4(8)9)2-14(11,12)13/h10H,1-2H2,(H,6,7)(H,8,9)(H2,11,12,13)/p-3/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 161.0 Ų
- LogP: -2.1