inosine

Ligand id: 4554

Name: inosine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 2
Topological polar surface area 128.87
Molecular weight 269.09
XLogP -1.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-purin-6-one
Database Links
CAS Registry No. 58-63-9 (source: Scifinder)
ChEBI CHEBI:17596
ChEMBL Ligand CHEMBL1556
Human Metabolome Database HMDB00195
PubChem CID 6021
RCSB PDB Ligand NOS
Search Google for chemical match using the InChIKey UGQMRVRMYYASKQ-KQYNXXCUSA-N
Search Google for chemicals with the same backbone UGQMRVRMYYASKQ
Wikipedia Inosine