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2,2-DIMETHYL-PROPIONIC-ACID-3-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-2-PHOSPHONOOXY-METHYL-PROPYLESTER
SpectraBase Compound ID 41IXouHdx0P
InChI InChI=1S/C15H23ClN5O6P/c1-15(2,3)13(22)26-6-9(7-27-28(23,24)25)5-21-8-18-10-11(17-4)19-14(16)20-12(10)21/h8-9H,5-7H2,1-4H3,(H,17,19,20)(H2,23,24,25)
InChIKey WVCMKVJFEBYRMS-UHFFFAOYSA-N
Mol Weight 435.8 g/mol
Molecular Formula C15H23ClN5O6P
Exact Mass 435.107448 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H8p1rhHI1Vt
Name 2,2-DIMETHYL-PROPIONIC-ACID-3-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-2-PHOSPHONOOXY-METHYL-PROPYLESTER
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21ClN5O6P
InChI InChI=1S/C15H23ClN5O6P/c1-15(2,3)13(22)26-6-9(7-27-28(23,24)25)5-21-8-18-10-11(17-4)19-14(16)20-12(10)21/h8-9H,5-7H2,1-4H3,(H,17,19,20)(H2,23,24,25)
InChIKey WVCMKVJFEBYRMS-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 UWLU65711