Abstract
Using the molecular mechanics method, we calculated the vibration spectra of methyl-2,6-di-O-acetyl-3,4-anhydro-α-DL-(6,6-2H2) derivatives of galactopyranoside (G) and talopyranoside (T) molecules, the former in three conformations of the hexapyranose ring (half-chair1H0 and0H1dis and also distorted boat2.5Bdis), and the latter in the E0+1H0 conformation. The sensitivity of vibration frequencies to variations of the hexapyranose ring conformation and to the configuration of the C(2) substituent is analyzed within spectral domains containing specific vibrations.
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References
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Additional information
Institute of Physics, Byelorussian Academy of Sciences. Translated fromZhurnal Strukturnoi Khimii, Vol. 35, No. 6, pp. 35–45, November–December, 1994.
Translated by A. Arbuznikov
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Andrianov, V.M., Zhbankov, R.G. Theoretical analysis of the dependence of the vibration spectra of a monosaccharide on the conformation of the hexapyranose ring. J Struct Chem 35, 783–791 (1994). https://doi.org/10.1007/BF02578108
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DOI: https://doi.org/10.1007/BF02578108