2',3'-ddATP

Ligand id: 1709

Name: 2',3'-ddATP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 5
Rotatable bonds 8
Topological polar surface area 268.1
Molecular weight 475.01
XLogP -4.29
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Database Links
BindingDB Ligand 50164644
CAS Registry No. 24027-80-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1383
DrugBank Ligand DB02189
GtoPdb PubChem SID 135651389
PubChem CID 65304
RCSB PDB Ligand DDS
Search Google for chemical match using the InChIKey OAKPWEUQDVLTCN-NKWVEPMBSA-N
Search Google for chemicals with the same backbone OAKPWEUQDVLTCN
Search UniChem for chemical match using the InChIKey OAKPWEUQDVLTCN-NKWVEPMBSA-N
Search UniChem for chemicals with the same backbone OAKPWEUQDVLTCN