P6D
Summary
Name: | 2'-azidocytidine |
Formula: | C9 H13 N6 O4 |
Formal charge: | 0 |
Formula 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
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=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 |
InChIKey | InChI | 1.03 | SXKUZFQHWHCRFO-XVFCMESISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N=[N+]=[NH-] |
SMILES | CACTVS | 3.385 | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2N=[N+]=[NH-] |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[NH-] |
SMILES | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)N=[N+]=[NH-] |