ZBU
Summary
| Name: | (S)-1'-(2',3'-DIHYDROXYPROPYL)-5-BROMO-URACIL |
| Formula: | C7 H10 Br N2 O7 P |
| Formal charge: | 0 |
| Formula weight: | 345.041 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-hydroxypropyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.6.1 | [(2S)-3-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-2-hydroxy-propyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)CN1C=C(Br)C(=O)NC1=O |
| SMILES_CANONICAL | CACTVS | 3.352 | O[C@H](CO[P](O)(O)=O)CN1C=C(Br)C(=O)NC1=O |
| SMILES | CACTVS | 3.352 | O[CH](CO[P](O)(O)=O)CN1C=C(Br)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C1=C(C(=O)NC(=O)N1C[C@@H](COP(=O)(O)O)O)Br |
| SMILES | OpenEye OEToolkits | 1.6.1 | C1=C(C(=O)NC(=O)N1CC(COP(=O)(O)O)O)Br |
| InChI | InChI | 1.03 | InChI=1S/C7H10BrN2O7P/c8-5-2-10(7(13)9-6(5)12)1-4(11)3-17-18(14,15)16/h2,4,11H,1,3H2,(H,9,12,13)(H2,14,15,16)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | FBWWPOSBYNOMBJ-BYPYZUCNSA-N |
