I-ABA

Ligand id: 458

Name: I-ABA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 5
Topological polar surface area 151.57
Molecular weight 498.05
XLogP 0.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R,3R,4S,5R)-2-[6-[(4-amino-3-iodophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Synonyms
IABA | N6-(4-amino-3-iodobenzyl)adenosine
Database Links
CAS Registry No. 98866-49-0 (source: Scifinder)
PubChem CID 125348
Search Google for chemical match using the InChIKey REGZQZHKIFOMRK-LSCFUAHRSA-N
Search Google for chemicals with the same backbone REGZQZHKIFOMRK
Search UniChem for chemical match using the InChIKey REGZQZHKIFOMRK-LSCFUAHRSA-N
Search UniChem for chemicals with the same backbone REGZQZHKIFOMRK