Molecule ID: 25200523

IUPAC Name: [(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate

Description: The molecule is dianion of 1D-myo-inositol 4-phosphate. It has a role as a human metabolite. It is an inositol phosphate oxoanion and a myo-inositol phosphate(2-). It is a conjugate base of a 1D-myo-inositol 4-phosphate.

SMILES: O=P([O-])([O-])OC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O

SELFIES: [O][=P][Branch1][C][O-1][Branch1][C][O-1][O][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O]

InChI: InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1?,2-,3-,4-,5+,6?/m0/s1

Molecular Properties:
- Polar Surface Area: 174.0 Ų
- LogP: -5.0