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[4-(2-CHLORO-6-METHYLAMINO-PURIN-9-YLMETHYL)-7-PHOSPHONO-HEPTYL]-PHOSPHONIC-ACID-SODIUM-SALT
SpectraBase Compound ID 6yUIxFuy96A
InChI InChI=1S/C14H24ClN5O6P2.4Na/c1-16-12-11-13(19-14(15)18-12)20(9-17-11)8-10(4-2-6-27(21,22)23)5-3-7-28(24,25)26;;;;/h9-10H,2-8H2,1H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26);;;;/q;4*+1/p-4
InChIKey ZFNHFUNSWMMIRU-UHFFFAOYSA-J
Mol Weight 543.70260113 g/mol
Molecular Formula C14H20ClN5Na4O6P2
Exact Mass 543.016812 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClaIwzaBl5Q
Name [4-(2-CHLORO-6-METHYLAMINO-PURIN-9-YLMETHYL)-7-PHOSPHONO-HEPTYL]-PHOSPHONIC-ACID-SODIUM-SALT
Compound Number 39B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20ClN5Na4O6P2
InChI InChI=1S/C14H24ClN5O6P2.4Na/c1-16-12-11-13(19-14(15)18-12)20(9-17-11)8-10(4-2-6-27(21,22)23)5-3-7-28(24,25)26;;;;/h9-10H,2-8H2,1H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26);;;;/q;4*+1/p-4
InChIKey ZFNHFUNSWMMIRU-UHFFFAOYSA-J
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 UWLU65721