myo-inositol   

GtoPdb Ligand ID: 4495

Synonyms: D-myo-inositol
Comment: PubChem CID 892 shows the non-chiral inositol structure
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 6
Rotatable bonds 0
Topological polar surface area 121.38
Molecular weight 180.06
XLogP -1.46
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES OC1C(O)C(O)C(C(C1O)O)O
Isomeric SMILES O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O
InChI InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
InChI Key CDAISMWEOUEBRE-GPIVLXJGSA-N