5N5

5'-amino-5'-deoxyadenosine

Created:2012-01-06
Last modified:  2012-01-06

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count4
Bond Count35
Aromatic Bond Count10
2D diagram of 5N5

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Chemical Component Summary

Name5'-amino-5'-deoxyadenosine
Systematic Name (OpenEye OEToolkits)(2R,3S,4R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol
FormulaC10 H14 N6 O3
Molecular Weight266.257
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN)N
SMILESCACTVS3.370NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
SMILESOpenEye OEToolkits1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN)O)O)N
Canonical SMILESCACTVS3.370 NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Canonical SMILESOpenEye OEToolkits1.7.6 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N
InChIInChI1.03 InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
InChIKeyInChI1.03 GVSGUDGNTHCZHI-KQYNXXCUSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL302376
PubChem 9816781
ChEMBL CHEMBL302376