Molecule ID: 46926335

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

Description: The molecule is dianion of 6-O-phosphono-D-glucono-1,5-lactone arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a 6-O-phosphono-D-glucono-1,5-lactone.

SMILES: O=C1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O

SELFIES: [O][=C][O][C@H1][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/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H2,11,12,13)/p-2/t2-,3-,4+,5-/m1/s1

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: -3.8