![9-[4-(DIFLUOROMETHYLDIPHOSPHONYL)-OXYPHOSPHONYLMETHOXY)-CYCLOPENT-2-ENYL]-GUANINE](/api/spectrum/AcsuhOAShjP/structure.png?h=300&w=458 "9-[4-(DIFLUOROMETHYLDIPHOSPHONYL)-OXYPHOSPHONYLMETHOXY)-CYCLOPENT-2-ENYL]-GUANINE")
| SpectraBase Compound ID | HY7M303vKMf |
|---|---|
| InChI | InChI=1S/C12H16F2N5O10P3/c13-12(14,31(23,24)25)32(26,27)29-30(21,22)5-28-7-2-1-6(3-7)19-4-16-8-9(19)17-11(15)18-10(8)20/h1-2,4,6-7H,3,5H2,(H,21,22)(H,26,27)(H2,23,24,25)(H3,15,17,18,20)/t6-,7+/m0/s1 |
| InChIKey | KKHRRYOJOJNVLH-NKWVEPMBSA-N |
| Mol Weight | 521.2 g/mol |
| Molecular Formula | C12H16F2N5O10P3 |
| Exact Mass | 521.007809 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AcsuhOAShjP |
|---|---|
| Name | 9-[4-(DIFLUOROMETHYLDIPHOSPHONYL)-OXYPHOSPHONYLMETHOXY)-CYCLOPENT-2-ENYL]-GUANINE |
| Compound Number | VB |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H12F2N5O10P3 |
| InChI | InChI=1S/C12H16F2N5O10P3/c13-12(14,31(23,24)25)32(26,27)29-30(21,22)5-28-7-2-1-6(3-7)19-4-16-8-9(19)17-11(15)18-10(8)20/h1-2,4,6-7H,3,5H2,(H,21,22)(H,26,27)(H2,23,24,25)(H3,15,17,18,20)/t6-,7+/m0/s1 |
| InChIKey | KKHRRYOJOJNVLH-NKWVEPMBSA-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 | UWLU64469 |