Molecule ID: 50994405

IUPAC Name: [(1S,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl] dihydrogen phosphate

Description: The molecule is a cyclitol phosphate that is valienol carrying a sigle monophosphate group at position 1. It is a conjugate acid of a valienol 1-phosphate(2-).

SMILES: O=P(O)(O)O[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O

SELFIES: [O][=P][Branch1][C][O][Branch1][C][O][O][C@H1][C][=C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O]

InChI: InChI=1S/C7H13O8P/c8-2-3-1-4(15-16(12,13)14)6(10)7(11)5(3)9/h1,4-11H,2H2,(H2,12,13,14)/t4-,5+,6-,7-/m0/s1

Molecular Properties:
- Polar Surface Area: 148.0 Ų
- LogP: -4.0