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[4-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL-METHYL)-7-(DIETHOXY-PHOSPHORYL)-HEPTYL]-PHOSPHONIC-ACID-DIETHYLESTER
SpectraBase Compound ID IUcC5WOr0jN
InChI InChI=1S/C22H40ClN5O6P2/c1-6-31-35(29,32-7-2)14-10-12-18(13-11-15-36(30,33-8-3)34-9-4)16-28-17-25-19-20(24-5)26-22(23)27-21(19)28/h17-18H,6-16H2,1-5H3,(H,24,26,27)
InChIKey IFIKDQIOWDBKBD-UHFFFAOYSA-N
Mol Weight 568.0 g/mol
Molecular Formula C22H40ClN5O6P2
Exact Mass 567.214236 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXPR07YXjnt
Name [4-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL-METHYL)-7-(DIETHOXY-PHOSPHORYL)-HEPTYL]-PHOSPHONIC-ACID-DIETHYLESTER
Compound Number 70
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H40ClN5O6P2
InChI InChI=1S/C22H40ClN5O6P2/c1-6-31-35(29,32-7-2)14-10-12-18(13-11-15-36(30,33-8-3)34-9-4)16-28-17-25-19-20(24-5)26-22(23)27-21(19)28/h17-18H,6-16H2,1-5H3,(H,24,26,27)
InChIKey IFIKDQIOWDBKBD-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 Unknown
Source File Reference UWLU65720