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6-(6-D-RIBITYLAMINO-2,4-DIHYDROXYPYRIMIDIN-5-YL)-1-HEXYLPHOSPHONIC-ACID-DIAMMONIUM-SALT

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6-(6-D-RIBITYLAMINO-2,4-DIHYDROXYPYRIMIDIN-5-YL)-1-HEXYLPHOSPHONIC-ACID-DIAMMONIUM-SALT
SpectraBase Compound ID HVHqlPJCbV2
InChI InChI=1S/C15H28N3O9P.2H3N/c19-8-11(21)12(22)10(20)7-16-13-9(14(23)18-15(24)17-13)5-3-1-2-4-6-28(25,26)27;;/h10-12,19-22H,1-8H2,(H2,25,26,27)(H3,16,17,18,23,24);2*1H3/t10-,11+,12-;;/m0../s1
InChIKey DOYGJHWHOHIWSH-XUGVUIFXSA-N
Mol Weight 459.44 g/mol
Molecular Formula C15H34N5O9P
Exact Mass 459.209415 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Q50q617Ojv
Name 6-(6-D-RIBITYLAMINO-2,4-DIHYDROXYPYRIMIDIN-5-YL)-1-HEXYLPHOSPHONIC-ACID-DIAMMONIUM-SALT
Compound Number 16C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H34N5O9P
InChI InChI=1S/C15H28N3O9P.2H3N/c19-8-11(21)12(22)10(20)7-16-13-9(14(23)18-15(24)17-13)5-3-1-2-4-6-28(25,26)27;;/h10-12,19-22H,1-8H2,(H2,25,26,27)(H3,16,17,18,23,24);2*1H3/t10-,11+,12-;;/m0../s1
InChIKey DOYGJHWHOHIWSH-XUGVUIFXSA-N
Literature Reference Author M.CUSHMAN,J.T.MIHALIC,K.KIS,A.BACHER
Literature Reference Citation J.ORG.CHEM.,64,3838(1999)
Literature Reference DOI 10.1021/jo9821729
Solvent DMSO-D6
Source File Reference UWLU58713