P6D

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Summary

Name:2'-azidocytidine
Formula:C9 H13 N6 O4
Formal charge:0
Molecular weight:269.237 Da
Component type:NON-POLYMER
Ambiguous Chemistry Warning:The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H13N6O4/c10-5-1-2-15(9(18)12-5)8-6(13-14-11)7(17)4(3-16)19-8/h1-2,4,6-8,11,16-17H,3H2,(H2,10,12,18)/t4-,6-,7-,8-/m1/s1
InChIKeyInChI1.03SXKUZFQHWHCRFO-XVFCMESISA-N
SMILES_CANONICALCACTVS3.385NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N=[N+]=[NH-]
SMILESCACTVS3.385NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2N=[N+]=[NH-]
SMILES_CANONICALOpenEye OEToolkits2.0.7C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[NH-]
SMILESOpenEye OEToolkits2.0.7C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)N=[N+]=[NH-]
167518
PDB entries from 2020-08-12