6AZ
Summary
| Name: | 6-azidouridine 5'-(dihydrogen phosphate) |
| Synonyms: | 6-AZIDO-UMP |
| Formula: | C9 H12 N5 O9 P |
| Formal charge: | 0 |
| Formula weight: | 365.193 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-azidouridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-5-(6-azido-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [N-]=[N+]=N\C=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2N=[N+]=[N-] |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2N=[N+]=[N-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N=[N+]=[N-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)N=[N+]=[N-] |
| InChI | InChI | 1.03 | InChI=1S/C9H12N5O9P/c10-13-12-4-1-5(15)11-9(18)14(4)8-7(17)6(16)3(23-8)2-22-24(19,20)21/h1,3,6-8,16-17H,2H2,(H,11,15,18)(H2,19,20,21)/t3-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | GBBWDDPNGBRVEX-YXZULKJRSA-N |
