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[3-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-2-PHOSPHONO-METHYL-PROPYL]-PHOSPHONIC-ACID
SpectraBase Compound ID 7sBnVN7YcOk
InChI InChI=1S/C10H16ClN5O6P2/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)
InChIKey FFBIISIICFTESN-UHFFFAOYSA-N
Mol Weight 399.67 g/mol
Molecular Formula C10H16ClN5O6P2
Exact Mass 399.026435 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Hwf3RfSVUk
Name [3-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-2-PHOSPHONO-METHYL-PROPYL]-PHOSPHONIC-ACID
Compound Number 38A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12ClN5O6P2
InChI InChI=1S/C10H16ClN5O6P2/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)
InChIKey FFBIISIICFTESN-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 UWLU65724