5BU
Summary
| Name: | 5-BROMO-URIDINE-5'-MONOPHOSPHATE |
| Formula: | C9 H12 Br N2 O9 P |
| Formal charge: | 0 |
| Formula weight: | 403.077 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-bromouridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-5-(5-bromo-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 | BrC=1C(=O)NC(=O)N(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=C(Br)C(=O)NC2=O |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(Br)C(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)Br |
| InChI | InChI | 1.03 | InChI=1S/C9H12BrN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | IDPVUMJNEZFMNU-UAKXSSHOSA-N |
