Molecule ID: 25245916

IUPAC Name: [(4R,5S,6R)-4,5,6-trihydroxy-3-oxocyclohexen-1-yl]methyl dihydrogen phosphate

Description: The molecule is a hydroxyalkyl phosphate that is valienone carrying a single monophosphate substituent at position 7. It is a member of cyclohexenones, an enone, a triol and a hydroxyalkyl phosphate. It derives from a valienone.

SMILES: O=C1C=C(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O

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

InChI: InChI=1S/C7H11O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h1,5-7,9-11H,2H2,(H2,12,13,14)/t5-,6+,7+/m1/s1

Molecular Properties:
- Polar Surface Area: 145.0 Ų
- LogP: -4.2