F01
Summary
| Name: | 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one |
| Synonyms: | 4-amino-5-fluoro-1-((2R,3S,4R,5R)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyrimidin-2(1H)-one |
| Formula: | C9 H12 F N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 261.207 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-fluorocytidine |
| OpenEye OEToolkits | 1.5.0 | 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)CO)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O |
| SMILES | CACTVS | 3.341 | NC1=NC(=O)N(C=C1F)[CH]2O[CH](CO)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)F |
| InChI | InChI | 1.03 | InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | STRZQWQNZQMHQR-UAKXSSHOSA-N |
