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9-{[(5-S)-2-HYDROXY-2-OXIDO-1,4,2-DIOXAPHOSPHINAN-5-YL]-METHYL}-2,6-DIAMINOPURINE_3-(HEXADECYLOXY)-PROPYLESTER
SpectraBase Compound ID 8uOrbDpHr0j
InChI InChI=1S/C28H51N6O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-36-18-16-19-38-40(35)23-37-24(21-39-40)20-34-22-31-25-26(29)32-28(30)33-27(25)34/h22,24H,2-21,23H2,1H3,(H4,29,30,32,33)
InChIKey CHHQGPFUAWUOBR-UHFFFAOYSA-N
Mol Weight 582.7 g/mol
Molecular Formula C28H51N6O5P
Exact Mass 582.365856 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4aHQdrWMsT
Name 9-{[(5-S)-2-HYDROXY-2-OXIDO-1,4,2-DIOXAPHOSPHINAN-5-YL]-METHYL}-2,6-DIAMINOPURINE_3-(HEXADECYLOXY)-PROPYLESTER
Compound Number 8A-CIS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H51N6O5P
InChI InChI=1S/C28H51N6O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-36-18-16-19-38-40(35)23-37-24(21-39-40)20-34-22-31-25-26(29)32-28(30)33-27(25)34/h22,24H,2-21,23H2,1H3,(H4,29,30,32,33)
InChIKey CHHQGPFUAWUOBR-UHFFFAOYSA-N
Literature Reference Author M.KRECMEROVA,A.HOLY,G.ANDREI,K.POMEISL,T.TICHY,P.BREHOVA,M.M ASOJIDKOVA,M.DRACINS
Literature Reference Citation J.MED.CHEM.,53,6825(2010)
Solvent CDCl3
Source File Reference UWMZ40511