6FC
Summary
| Name: | 2'-trifluoromethylthio-2'-deoxycytidine |
| Formula: | C10 H15 F3 N3 O7 P S |
| Formal charge: | 0 |
| Formula weight: | 409.276 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-thio-2'-S-(trifluoromethyl)-5'-O-(trihydroxy-lambda~5~-phosphanyl)cytidine |
| OpenEye OEToolkits | 1.7.6 | 4-azanyl-1-[(2R,3R,4R,5R)-4-oxidanyl-3-(trifluoromethylsulfanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)SC2C(O)C(OC2N1C(=O)N=C(N)C=C1)COP(O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H15F3N3O7PS/c11-10(12,13)25-7-6(17)4(3-22-24(19,20)21)23-8(7)16-2-1-5(14)15-9(16)18/h1-2,4,6-8,17,19-21,24H,3H2,(H2,14,15,18)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | RXIZMKBDEBXDBO-XVFCMESISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@H]2SC(F)(F)F |
| SMILES | CACTVS | 3.385 | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[PH](O)(O)O)[CH](O)[CH]2SC(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=CN(C(=O)N=C1N)[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)N=C1N)C2C(C(C(O2)COP(O)(O)O)O)SC(F)(F)F |
