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[3-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-2-PHOSPHONO-METHYL-PROPYL]-PHOSPHONIC-ACID-SODIUM-SALT
SpectraBase Compound ID 31Wv2bDhxqy
InChI InChI=1S/C10H16ClN5O6P2.4Na/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22;;;;/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22);;;;/q;4*+1/p-4
InChIKey SKBOZULNMREQCT-UHFFFAOYSA-J
Mol Weight 487.59460113 g/mol
Molecular Formula C10H12ClN5Na4O6P2
Exact Mass 486.954212 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7oGY5cxE29Y
Name [3-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-2-PHOSPHONO-METHYL-PROPYL]-PHOSPHONIC-ACID-SODIUM-SALT
Compound Number 38 B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12ClN5Na4O6P2
InChI InChI=1S/C10H16ClN5O6P2.4Na/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22;;;;/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22);;;;/q;4*+1/p-4
InChIKey SKBOZULNMREQCT-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 UWLU65725