5CF
Summary
| Name: | 5-fluorocytidine 5'-(dihydrogen phosphate) |
| Formula: | C9 H13 F N3 O8 P |
| Formal charge: | 0 |
| Formula weight: | 341.187 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 5-fluorocytidine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.6.1 | [(2R,3S,4R,5R)-5-(4-azanyl-5-fluoro-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(F)=C1)C(O)C2O |
| SMILES_CANONICAL | CACTVS | 3.352 | NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O |
| SMILES | CACTVS | 3.352 | NC1=NC(=O)N(C=C1F)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)F |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)F |
| InChI | InChI | 1.03 | InChI=1S/C9H13FN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | VLZKLBLFWAHHJM-UAKXSSHOSA-N |
