FTD
Summary
| Name: | [(2R,5S)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate |
| Formula: | C8 H14 F N3 O9 P2 S |
| Formal charge: | 0 |
| Formula weight: | 409.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2R,5S)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.7.6 | [(2R,5S)-5-(6-azanyl-5-fluoranyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-1,3-oxathiolan-2-yl]methyl phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=C(F)C1)N)CS2 |
| InChI | InChI | 1.03 | InChI=1S/C8H14FN3O9P2S/c9-4-1-12(8(13)11-7(4)10)5-3-24-6(20-5)2-19-23(17,18)21-22(14,15)16/h5-6H,1-3,10H2,(H,11,13)(H,17,18)(H2,14,15,16)/t5-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | DSUZHKWUVJBGFZ-NTSWFWBYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=C(F)CN([C@@H]2CS[C@H](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)N1 |
| SMILES | CACTVS | 3.370 | NC1=C(F)CN([CH]2CS[CH](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2CC(=C(NC2=O)N)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(OC(S1)COP(=O)(O)OP(=O)(O)O)N2CC(=C(NC2=O)N)F |
