Molecule ID: 25203322

IUPAC Name: [(4R,5S,6R)-4,5,6-trihydroxy-3-oxocyclohexen-1-yl]methyl phosphate

Description: The molecule is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of valienone 7-phosphate; major species at pH 7.3.

SMILES: O=C1C=C(COP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O

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

InChI: InChI=1S/C7H11O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h1,5-7,9-11H,2H2,(H2,12,13,14)/p-2/t5-,6+,7+/m1/s1

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: -4.3