Molecule ID: 107737

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

Description: The molecule is an inositol having myo- configuration substituted at position 1 by a phosphate group. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It derives from a myo-inositol. It is a conjugate acid of a 1D-myo-inositol 1-phosphate(2-).

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][Branch1][C][O][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)/t1?,2-,3+,4-,5-,6?/m1/s1

Molecular Properties:
- Polar Surface Area: 168.0 Ų
- LogP: -4.8