Molecule ID: 23420274

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

Description: The molecule is dianion of 1-deoxy-D-xylulose 5-phosphate arising from deprotonation of both phosphate OH groups; major species at pH 7.3. It is a conjugate base of a 1-deoxy-D-xylulose 5-phosphate.

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

SELFIES: [C][C][=Branch1][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/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/p-2/t4-,5-/m1/s1

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: -3.2