Molecule ID: 21123134

IUPAC Name: [(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] phosphate

Description: The molecule is dianion of D-glucitol 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It is a conjugate base of a D-glucitol 6-phosphate.

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

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

InChI: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/p-2/t3-,4+,5+,6+/m0/s1

Molecular Properties:
- Polar Surface Area: 174.0 Ų
- LogP: -4.4