Ap3a

Ligand id: 5454

Name: Ap3a

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 26
Hydrogen bond donors 9
Rotatable bonds 12
Topological polar surface area 416.87
Molecular weight 756.08
XLogP -7.15
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid
Synonyms
diadenosine triphosphate
Database Links
ChEMBL Ligand CHEMBL407938
PubChem CID 165381
Search Google for chemical match using the InChIKey QCICUPZZLIQAPA-XPWFQUROSA-N
Search Google for chemicals with the same backbone QCICUPZZLIQAPA