D-chiro-inositol

Ligand id: 4645

Name: D-chiro-inositol

Structure and Physico-chemical Properties

2D Structure
Calculated 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

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol
Synonyms
DCI
Database Links
ChEBI CHEBI:27372
ChEMBL Ligand CHEMBL1231671
PubChem CID 892
RCSB PDB Ligand CBU
Search Google for chemical match using the InChIKey CDAISMWEOUEBRE-LKPKBOIGSA-N
Search Google for chemicals with the same backbone CDAISMWEOUEBRE
Wikipedia D-chiro-Inositol
Comments
PubChem CID 892 shows the non-chiral inositol structure