1-deoxynojirimycin

Ligand id: 4642

Name: 1-deoxynojirimycin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 5
Rotatable bonds 1
Topological polar surface area 92.95
Molecular weight 163.08
XLogP -0.93
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
Synonyms
AT-2220 | duvoglustat | S-GI
Database Links
CAS Registry No. 19130-96-2 (source: Scifinder)
ChEMBL Ligand CHEMBL307429
GtoPdb PubChem SID 178101359
PubChem CID 29435
RCSB PDB Ligand NOJ
Search Google for chemical match using the InChIKey LXBIFEVIBLOUGU-JGWLITMVSA-N
Search Google for chemicals with the same backbone LXBIFEVIBLOUGU
Search UniChem for chemical match using the InChIKey LXBIFEVIBLOUGU-JGWLITMVSA-N
Search UniChem for chemicals with the same backbone LXBIFEVIBLOUGU
Wikipedia 1-Deoxynojirimycin