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Abstract:

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    Molecular mechanic calculations have been carried out conformers of the 2-alkoxytetrahydro-piran derivatives (compounds 1 -2 ) with the alkoxy group in the axial and equatorial conformations. According to the numerical results obtained, the anomeric effects can be predicted a well as the geometry tendencies of the different conformers studies. Thus, the coupling constants 2-3, are calculated theoretically, giving results consistent with experimental data. Comparisons are made using different effective dielectric constants, and carrying out calculations with different version of MM2.

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