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CARBONIC-ACID-3-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-2-PHOSPHONOOXY-METHYL-PROPYLESTER-ETHYLESTER-AMMONIUM-SALT
SpectraBase Compound ID BTw7qQl5iS9
InChI InChI=1S/C13H19ClN5O6P.H3N/c1-3-9(20)24-5-8(6-25-26(21,22)23)4-19-7-16-10-11(15-2)17-13(14)18-12(10)19;/h7-8H,3-6H2,1-2H3,(H,15,17,18)(H2,21,22,23);1H3
InChIKey IGIHSDCFBORRIM-UHFFFAOYSA-N
Mol Weight 424.78 g/mol
Molecular Formula C13H22ClN6O6P
Exact Mass 424.102697 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DqCQVQnRNsS
Name CARBONIC-ACID-3-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-2-PHOSPHONOOXY-METHYL-PROPYLESTER-ETHYLESTER-AMMONIUM-SALT
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H21ClN6O6P
InChI InChI=1S/C13H19ClN5O6P.H3N/c1-3-9(20)24-5-8(6-25-26(21,22)23)4-19-7-16-10-11(15-2)17-13(14)18-12(10)19;/h7-8H,3-6H2,1-2H3,(H,15,17,18)(H2,21,22,23);1H3
InChIKey IGIHSDCFBORRIM-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 UWLU65713