Z8B

5'-azido-8-bromo-5'-deoxyadenosine

Created:2011-03-07
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count4
Bond Count35
Aromatic Bond Count10
2D diagram of Z8B

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Chemical Component Summary

Name5'-azido-8-bromo-5'-deoxyadenosine
Systematic Name (OpenEye OEToolkits)(2R,3R,4S,5R)-2-(6-azanyl-8-bromo-purin-9-yl)-5-(azidomethyl)oxolane-3,4-diol
FormulaC10 H11 Br N8 O3
Molecular Weight371.15
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc2nc1c(ncnc1n2C3OC(C(O)C3O)C\N=[N+]=[N-])N
SMILESCACTVS3.370Nc1ncnc2n([CH]3O[CH](CN=[N+]=[N-])[CH](O)[CH]3O)c(Br)nc12
SMILESOpenEye OEToolkits1.7.0c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)CN=[N+]=[N-])O)O)N
Canonical SMILESCACTVS3.370 Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(Br)nc12
Canonical SMILESOpenEye OEToolkits1.7.0 c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N
InChIInChI1.03 InChI=1S/C10H11BrN8O3/c11-10-17-4-7(12)14-2-15-8(4)19(10)9-6(21)5(20)3(22-9)1-16-18-13/h2-3,5-6,9,20-21H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKeyInChI1.03 USVISQHKGJAQDS-UUOKFMHZSA-N

Related Resource References

Resource NameReference
PubChem 86704393