UF2
Summary
| Name: | 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione |
| Synonyms: | 2'-fluoro-2'-deoxyuridine |
| Formula: | C9 H12 F N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 326.172 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.7.2 | [(2R,3R,4S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)C2O |
| InChI | InChI | 1.03 | InChI=1S/C9H12FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | RTGGYPQTXNSBPD-PXBUCIJWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1[C@H](F)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.370 | O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F |
| SMILES | OpenEye OEToolkits | 1.7.2 | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)F |
