UP6
Summary
| Name: | 6-AZA URIDINE 5'-MONOPHOSPHATE |
| Synonyms: | 6-AZA-UMP |
| Formula: | C8 H12 N3 O9 P |
| Formal charge: | 0 |
| Formula weight: | 325.169 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(5-O-phosphono-beta-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-5-(3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N(N=CC(=O)N1)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)N2N=CC(=O)NC2=O |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2N=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=NN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H12N3O9P/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(20-7)2-19-21(16,17)18/h1,3,5-7,13-14H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | LRVZOSYMNMNQFR-SHUUEZRQSA-N |
