Molecule ID: 5459820

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

Description: The molecule is an organophosphate oxoanion that is the dianion of D-xylulose 5-phosphate 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 D-xylulose 5-phosphate.

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

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

InChI: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/p-2/t4-,5-/m1/s1

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: -3.9