2',5'-dideoxyadenosine   

GtoPdb Ligand ID: 5108

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 99.08
Molecular weight 235.11
XLogP -0.11
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC1CC(OC1C)n1cnc2c1ncnc2N
Isomeric SMILES O[C@H]1C[C@@H](O[C@@H]1C)n1cnc2c1ncnc2N
InChI InChI=1S/C10H13N5O2/c1-5-6(16)2-7(17-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7,16H,2H2,1H3,(H2,11,12,13)/t5-,6+,7-/m1/s1
InChI Key FFHPXOJTVQDVMO-DSYKOEDSSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-methyloxolan-3-ol
Database Links
CAS Registry No. 6698-26-6
ChEMBL Ligand CHEMBL1253350
GtoPdb PubChem SID 178101801
PubChem CID 65166
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