scyllo-inositol

Ligand id: 4649

Name: scyllo-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,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol
Synonyms
AZD 103 | cocositol | quercinitol
Database Links
CAS Registry No. 488-59-5 (source: Scifinder)
ChEBI CHEBI:10642
ChEMBL Ligand CHEMBL468154
PubChem CID 892
RCSB PDB Ligand 2H3
Search Google for chemical match using the InChIKey CDAISMWEOUEBRE-CDRYSYESSA-N
Search Google for chemicals with the same backbone CDAISMWEOUEBRE
Search UniChem for chemical match using the InChIKey CDAISMWEOUEBRE-CDRYSYESSA-N
Search UniChem for chemicals with the same backbone CDAISMWEOUEBRE
Wikipedia Scyllo-Inositol
Comments
PubChem CID 892 shows the non-chiral inositol structure