6FU
Summary
| Name: | 2'-trifluoromethylthio-2'-deoxyuridine |
| Formula: | C10 H14 F3 N2 O8 P S |
| Formal charge: | 0 |
| Formula weight: | 410.261 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-thio-2'-S-(trifluoromethyl)-5'-O-(trihydroxy-lambda~5~-phosphanyl)uridine |
| OpenEye OEToolkits | 1.7.6 | 1-[(2R,3R,4R,5R)-4-oxidanyl-3-(trifluoromethylsulfanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)SC2C(O)C(OC2N1C(=O)NC(=O)C=C1)COP(O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H14F3N2O8PS/c11-10(12,13)25-7-6(17)4(3-22-24(19,20)21)23-8(7)15-2-1-5(16)14-9(15)18/h1-2,4,6-8,17,19-21,24H,3H2,(H,14,16,18)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | HQACHJYAMJCNIP-XVFCMESISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1[C@@H](CO[PH](O)(O)O)O[C@H]([C@@H]1SC(F)(F)F)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](CO[PH](O)(O)O)O[CH]([CH]1SC(F)(F)F)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)(O)O)O)SC(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(O)(O)O)O)SC(F)(F)F |
