Molecule ID: 25137933

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

Description: The molecule is a ketohexose monophosphate having keto groups at the 2- and 5-positions, hydroxy groups at the 3- and 4-positions and the phosphate group at the 6-position. It is a conjugate acid of a 1-deoxy-D-threo-hexo-2,5-diulose 6-phosphate(2-).

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][O]

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)/t5-,6-/m1/s1

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: -3.3