Molecule ID: 5459945

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

Description: The molecule is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of L-rhamnulose 1-phosphate; major species at pH 7.3. It is a conjugate base of a L-rhamnulose 1-phosphate.

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

SELFIES: [C][C@H1][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/C6H13O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h3,5-7,9-10H,2H2,1H3,(H2,11,12,13)/p-2/t3-,5+,6+/m0/s1

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: -3.5