Molecule ID: 23421198

IUPAC Name: [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate

Description: The molecule is an organophosphate oxoanion that is the dianion of D-glucopyranose 1-phosphate arising from deprotonation of both phosphate OH groups. It has a role as a fundamental metabolite. It is a conjugate base of a D-glucopyranose 1-phosphate.

SMILES: O=P([O-])([O-])OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

SELFIES: [O][=P][Branch1][C][O-1][Branch1][C][O-1][O][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O]

InChI: InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/p-2/t2-,3-,4+,5-,6?/m1/s1

Molecular Properties:
- Polar Surface Area: 163.0 Ų
- LogP: -4.0