Molecule ID: 44123434

IUPAC Name: [(3S,4S)-3,4-dihydroxy-2,5-dioxohexyl] phosphate

Description: The molecule is dianion of 1-deoxy-D-threo-hexo-2,5-diulose 6-phosphate arising from deprotonation of both of the phosphate OH groups. It is a conjugate base of a 1-deoxy-D-threo-hexo-2,5-diulose 6-phosphate.

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

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

InChI: InChI=1S/C6H11O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h5-6,9-10H,2H2,1H3,(H2,11,12,13)/p-2/t5-,6-/m1/s1

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: -3.5