compound 3a [PMID: 22873688]

Ligand id: 5911

Name: compound 3a [PMID: 22873688]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 7
Topological polar surface area 257.29
Molecular weight 470.05
XLogP -3.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
{[(R)-{[(2R,3R,4S)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(boranuidyl)phosphoryl]oxy}phosphonic acid
Database Links
GtoPdb PubChem SID 178102534
PubChem CID 73755170
Search Google for chemical match using the InChIKey NYMPKIXFMTVLTJ-CHJYMILRSA-N
Search Google for chemicals with the same backbone NYMPKIXFMTVLTJ
Search UniChem for chemical match using the InChIKey NYMPKIXFMTVLTJ-CHJYMILRSA-N
Search UniChem for chemicals with the same backbone NYMPKIXFMTVLTJ