Molecule ID: 86289749

IUPAC Name: (6R)-2,4-dioxido-2,4-dioxo-1,3,5,2lambda5,4lambda5-trioxadiphosphepane-6-carboxylate

Description: The molecule is an organophosphate oxoanion arising from deprotonation of the phosphate and carboxy groups of cyclic 2,3-bisphospho-D-glyceric acid; major species at pH 7.3. It is an organophosphate oxoanion and a monocarboxylic acid anion. It is a conjugate acid of a cyclic 2,3-bisphospho-D-glyceric acid.

SMILES: O=C([O-])[C@H]1COP(=O)([O-])OP(=O)([O-])O1

SELFIES: [O][=C][Branch1][C][O-1][C@H1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][Ring1][O]

InChI: InChI=1S/C3H6O9P2/c4-3(5)2-1-10-13(6,7)12-14(8,9)11-2/h2H,1H2,(H,4,5)(H,6,7)(H,8,9)/p-3/t2-/m1/s1

Molecular Properties:
- Polar Surface Area: 148.0 Ų
- LogP: -2.2