adenosine

Ligand id: 2844

Name: adenosine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 139.54
Molecular weight 267.1
XLogP -1.42
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1989))
IUPAC Name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Synonyms
Adenocard® | Adenoscan®
Comments
Endogenous nucleoside, a component of nucleic acids and an important neurotransmitter.
Database Links
CAS Registry No. 58-61-7 (source: Scifinder)
ChEBI CHEBI:16335
ChEMBL Ligand CHEMBL477
DrugBank Ligand DB00640
GtoPdb PubChem SID 135651426
PubChem CID 60961
RCSB PDB Ligand ADN
Search Google for chemical match using the InChIKey OIRDTQYFTABQOQ-KQYNXXCUSA-N
Search Google for chemicals with the same backbone OIRDTQYFTABQOQ
Search UniChem for chemical match using the InChIKey OIRDTQYFTABQOQ-KQYNXXCUSA-N
Search UniChem for chemicals with the same backbone OIRDTQYFTABQOQ
Wikipedia Adenosine

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Tocris
Adenosine
Cat. No. 3624