muco-inositol

Ligand id: 4648

Name: muco-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,4R,5r,6S)-cyclohexane-1,2,3,4,5,6-hexol
Database Links
CAS Registry No. 488-55-1 (source: Scifinder)
ChEBI CHEBI:27987
ChEMBL Ligand CHEMBL278373
PubChem CID 892
Search Google for chemical match using the InChIKey CDAISMWEOUEBRE-GNIYUCBRSA-N
Search Google for chemicals with the same backbone CDAISMWEOUEBRE
Search UniChem for chemical match using the InChIKey CDAISMWEOUEBRE-GNIYUCBRSA-N
Search UniChem for chemicals with the same backbone CDAISMWEOUEBRE
Wikipedia Muco-Inositol
Comments
PubChem CID 892 shows the non-chiral inositol structure