![P,P'-BIS-[[4-(ADENINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-DIBROMODIPHOSPHONATE](/api/spectrum/72Ndj61uGIi/structure.png?h=300&w=458 "P,P'-BIS-[[4-(ADENINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-DIBROMODIPHOSPHONATE")
| SpectraBase Compound ID | LbX66BO0oZC |
|---|---|
| InChI | InChI=1S/C23H28Br2N10O12P4/c24-23(25,50(40,41)46-48(36,37)11-44-15-3-1-13(5-15)34-9-32-17-19(26)28-7-30-21(17)34)51(42,43)47-49(38,39)12-45-16-4-2-14(6-16)35-10-33-18-20(27)29-8-31-22(18)35/h1-4,7-10,13-16H,5-6,11-12H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,26,28,30)(H2,27,29,31)/t13-,14-,15+,16+/m0/s1 |
| InChIKey | PYAOXPFIHOHHIB-CAOSSQGBSA-N |
| Mol Weight | 920.24 g/mol |
| Molecular Formula | C23H28Br2N10O12P4 |
| Exact Mass | 917.92054 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 72Ndj61uGIi |
|---|---|
| Name | P,P'-BIS-[[4-(ADENINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-DIBROMODIPHOSPHONATE |
| Compound Number | IIC |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H24Br2N10O12P4 |
| InChI | InChI=1S/C23H28Br2N10O12P4/c24-23(25,50(40,41)46-48(36,37)11-44-15-3-1-13(5-15)34-9-32-17-19(26)28-7-30-21(17)34)51(42,43)47-49(38,39)12-45-16-4-2-14(6-16)35-10-33-18-20(27)29-8-31-22(18)35/h1-4,7-10,13-16H,5-6,11-12H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,26,28,30)(H2,27,29,31)/t13-,14-,15+,16+/m0/s1 |
| InChIKey | PYAOXPFIHOHHIB-CAOSSQGBSA-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 | UWLU64476 |