Molecule ID: 25200383

IUPAC Name: (2R)-2,3-diphosphonatooxypropanoate

Description: The molecule is an organophosphate oxoanion arising from deprotonation of the phospho and carboxy groups of 2,3-bisphospho-D-glyceric acid; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is an organophosphate oxoanion and a monocarboxylic acid anion. It is a conjugate base of a 2,3-bisphospho-D-glyceric acid.

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

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

InChI: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/p-5/t2-/m1/s1

Molecular Properties:
- Polar Surface Area: 185.0 Ų
- LogP: -3.4