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[3-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-2-(DIETHOXY-PHOSPHORYLMETHYL)-PROPYL]-PHOSPHONIC-ACID-DIETHYLESTER
SpectraBase Compound ID 38YcCELwaqz
InChI InChI=1S/C18H32ClN5O6P2/c1-6-27-31(25,28-7-2)11-14(12-32(26,29-8-3)30-9-4)10-24-13-21-15-16(20-5)22-18(19)23-17(15)24/h13-14H,6-12H2,1-5H3,(H,20,22,23)
InChIKey PDRHVAGGZOGEKM-UHFFFAOYSA-N
Mol Weight 511.9 g/mol
Molecular Formula C18H32ClN5O6P2
Exact Mass 511.151635 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID W72ozJZitn
Name [3-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-2-(DIETHOXY-PHOSPHORYLMETHYL)-PROPYL]-PHOSPHONIC-ACID-DIETHYLESTER
Compound Number 69
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H32ClN5O6P2
InChI InChI=1S/C18H32ClN5O6P2/c1-6-27-31(25,28-7-2)11-14(12-32(26,29-8-3)30-9-4)10-24-13-21-15-16(20-5)22-18(19)23-17(15)24/h13-14H,6-12H2,1-5H3,(H,20,22,23)
InChIKey PDRHVAGGZOGEKM-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 CDCl3
Source File Reference UWLU65723