cordycepin   Click here for help

GtoPdb Ligand ID: 4630

Synonyms: 3'-deoxyadenosine
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 119.31
Molecular weight 251.1
XLogP -1.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC1CC(C(O1)n1cnc2c1ncnc2N)O
Isomeric SMILES OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O
InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
InChI Key OFEZSBMBBKLLBJ-BAJZRUMYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R,3R,5S)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
Synonyms Click here for help
3'-deoxyadenosine
Database Links Click here for help
CAS Registry No. 73-03-0 (source: Scifinder)
ChEMBL Ligand CHEMBL305686
GtoPdb PubChem SID 178101348
PubChem CID 6303
RCSB PDB Ligand 3AD
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Wikipedia Cordycepin

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Tocris
Cordycepin
Cat. No. 2294