![9-[4-(DIFLUOROMETHYLDIPHOSPHONYL)-OXYPHOSPHONYLMETHOXY)-CYCLOPENT-2-ENYL]-ADENINE](/api/spectrum/BB8EoU2VxGW/structure.png?h=300&w=458 "9-[4-(DIFLUOROMETHYLDIPHOSPHONYL)-OXYPHOSPHONYLMETHOXY)-CYCLOPENT-2-ENYL]-ADENINE")
| SpectraBase Compound ID | LZSHW1t64Px |
|---|---|
| InChI | InChI=1S/C12H16F2N5O9P3/c13-12(14,30(22,23)24)31(25,26)28-29(20,21)6-27-8-2-1-7(3-8)19-5-18-9-10(15)16-4-17-11(9)19/h1-2,4-5,7-8H,3,6H2,(H,20,21)(H,25,26)(H2,15,16,17)(H2,22,23,24)/t7-,8+/m0/s1 |
| InChIKey | QYSNJCSGAITOGQ-JGVFFNPUSA-N |
| Mol Weight | 505.2 g/mol |
| Molecular Formula | C12H16F2N5O9P3 |
| Exact Mass | 505.012894 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BB8EoU2VxGW |
|---|---|
| Name | 9-[4-(DIFLUOROMETHYLDIPHOSPHONYL)-OXYPHOSPHONYLMETHOXY)-CYCLOPENT-2-ENYL]-ADENINE |
| Compound Number | VIB |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H12F2N5O9P3 |
| InChI | InChI=1S/C12H16F2N5O9P3/c13-12(14,30(22,23)24)31(25,26)28-29(20,21)6-27-8-2-1-7(3-8)19-5-18-9-10(15)16-4-17-11(9)19/h1-2,4-5,7-8H,3,6H2,(H,20,21)(H,25,26)(H2,15,16,17)(H2,22,23,24)/t7-,8+/m0/s1 |
| InChIKey | QYSNJCSGAITOGQ-JGVFFNPUSA-N |
| Literature Reference Author | A.L.KHANDAZHINSKAYA,E.A.SHIROKOVA,Y.S.SKOBLOV,L.S.VICTOROVA, L.Y.GORYUNOVA,R.S.BE |
| Literature Reference Citation | J.MED.CHEM.,45,1284(2002) |
| Literature Reference DOI | 10.1021/jm011011l |
| Solvent | D2O |
| Source File Reference | UWLU64475 |