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P,P'-BIS-[[4-(ADENINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-DIFLUORODIPHOSPHONATE
SpectraBase Compound ID 3YWbCFp1a0S
InChI InChI=1S/C23H28F2N10O12P4/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 GVZAEXKUARHYGT-CAOSSQGBSA-N
Mol Weight 798.43 g/mol
Molecular Formula C23H28F2N10O12P4
Exact Mass 798.080671 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LxMPR1363Ay
Name P,P'-BIS-[[4-(ADENINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-DIFLUORODIPHOSPHONATE
Compound Number IIB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H24F2N10O12P4
InChI InChI=1S/C23H28F2N10O12P4/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 GVZAEXKUARHYGT-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 UWLU64474