Molecule ID: 90659879

IUPAC Name: [(2R,3S,4R)-3,4,6-trihydroxyoxan-2-yl]methyl phosphate

Description: The molecule is an organophosphate oxoanion resulting from the deprotonation of the phosphate OH groups of 2-deoxy-D-glucopyranose 6-phosphate; major species at pH 7.3. It is a conjugate base of a 2-deoxy-D-glucopyranose 6-phosphate.

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

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

InChI: InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/p-2/t3-,4-,5?,6+/m1/s1

Molecular Properties:
- Polar Surface Area: 142.0 Ų
- LogP: -3.4