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[3-(2,6-DICHLORO-PURIN-9-YL)-2-(DIETHOXY-PHOSPHORYLMETHYL)-PROPYL]-PHOSPHONIC-ACID-DIETHYLESTER
SpectraBase Compound ID 68TJH2cbyGR
InChI InChI=1S/C17H28Cl2N4O6P2/c1-5-26-30(24,27-6-2)10-13(11-31(25,28-7-3)29-8-4)9-23-12-20-14-15(18)21-17(19)22-16(14)23/h12-13H,5-11H2,1-4H3
InChIKey APPQEXIAMXELLE-UHFFFAOYSA-N
Mol Weight 517.29 g/mol
Molecular Formula C17H28Cl2N4O6P2
Exact Mass 516.086114 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LrqCoVNSEA0
Name [3-(2,6-DICHLORO-PURIN-9-YL)-2-(DIETHOXY-PHOSPHORYLMETHYL)-PROPYL]-PHOSPHONIC-ACID-DIETHYLESTER
Compound Number 67
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H28Cl2N4O6P2
InChI InChI=1S/C17H28Cl2N4O6P2/c1-5-26-30(24,27-6-2)10-13(11-31(25,28-7-3)29-8-4)9-23-12-20-14-15(18)21-17(19)22-16(14)23/h12-13H,5-11H2,1-4H3
InChIKey APPQEXIAMXELLE-UHFFFAOYSA-N
Literature Reference Author B.XU,A.STEPHENS,G.KRISCHENHEUTER,A.F.GRESLIN,X.CHENG,J.SENNE LO,M.CATTANEO,M.L.ZI
Literature Reference Citation J.MED.CHEM.,45,5694(2002)
Literature Reference DOI 10.1021/jm020173u
Solvent D2O
Source File Reference UWLU65722