Molecule ID: 439990

IUPAC Name: (1S,2R,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol

Description: The molecule is a member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 (the 1R,2S,3r,4R,5S,6r-stereoisomer). It has a role as a plant metabolite.

SMILES: COC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O

SELFIES: [C][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/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4+,5+,6-,7?

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: -3.2