adenosine-3'-5'-bisphosphate

Ligand id: 1718

Name: adenosine-3'-5'-bisphosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 6
Rotatable bonds 6
Topological polar surface area 252.22
Molecular weight 427.03
XLogP -5.13
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Synonyms
adenosine 3',5'-bisphosphate
adenosine 3',5'-diphosphate
Database Links
CAS Registry No. 1053-73-2 (source: Scifinder)
ChEBI CHEBI:17985
ChEMBL Ligand CHEMBL574817
PubChem CID 159296
RCSB PDB Ligand A3P
Search Google for chemical match using the InChIKey WHTCPDAXWFLDIH-KQYNXXCUSA-N
Search Google for chemicals with the same backbone WHTCPDAXWFLDIH
Wikipedia Adenosine_3',5'-bisphosphate