Abstract
1H and 31P NMR spectra of a variety of phosphorylated myo-inositols have been analyzed using a Bruker WH-360 spectrometer. Proton and phosphorus chemical shifts and coupling constants are reported for myo-inositol 1-phosphate, myo-inositol 2-phosphate, myo-inositol 5-phosphate, myo-inositol 1,2-cyclic phosphate, myo-inositol 1,4-bisphosphate, myo-inositol 1,4,5-trisphosphate, and myo-inositol 1,3,4,5-tetrakisphosphate. These data provide the basis for the chemical identification and characterization of biologically relevant inositol phosphates.
Highlights
'H and "P NMR spectra of a variety of phosphorylated myo-inositols havebeen analyzed using a Bruker WH-360 spectrometer
The H-1 protonresonance is split into a NMR spectraof the higher inositol phosphates, the effeocfts multiplet due to heteronuclearcoupling monophosphate substitution in the myo-inositol ring on pro- to the phosphorus nucleus with an unusually large coupling ton chemical shifts and coupling constants were evaluated constant of 19.5 Hz, indicative of a greater degree of covalent usingIns-1-P,Ins-2-P,Ins-5-P,andIns(l,2)cyclic-P.The bonding, andtodifferent homonuclearcoupling constants proton chemical shifts for these compounds argeiven in Table (JH(I).=H4(.~1 )HZ, JH(G).H= (8I.3) HZ)
Coupled 31PNMR spectra of Ins(1,4,5)P3and was confirmed by heteronuclear decoupling experiments, whereas values of the multiplicity of the H-4proton from a triplet-like structure 6.9 and 6.4 Hzwere obtained for the proton-phosphorus to thatof a complex quartet andcaused the H-4 resonance to coupling constants for the other two phosphorus nuclei
Summary
'H and "P NMR spectra of a variety of phosphorylated myo-inositols havebeen analyzed using a Bruker WH-360 spectrometer. These proton resonanceshave a doublet of NMR spectrumof Ins(l,2)cyclic-Pshowed a singlet resonance doublets structure.Differences in theH-H coupling constants far downfield at 16.77 ppm.
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