CONFORMATIONAL ANALYSIS IN CARBOHYDRATE CHEMISTRY .I. CONFORMATIONAL FREE ENERGIES . CONFORMATIONS AND ALPHA - BETA RATIOS OF ALDOPYRANOSES IN AQUEOUS SOLUTION

被引：233
作者：
ANGYAL, SJ
机构：
[1] School of Chemistry, University of New South Wales, Kensington NSW, 2033
来源：
AUSTRALIAN JOURNAL OF CHEMISTRY | 1968年 / 21卷 / 11期
关键词：
D O I：
10.1071/CH9682737
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The relative free energies of the aldopyranoses in aqueous solution have been calculated, taking non-bonded interaction energies and the anomeric effect into account. It is shown that the calculated free-energy values correctly predict the predominant conformation of the α-and β-pyranose forms of each aldose. The α-to β-pyranose ratios of the aldoses in aqueous solution, calculated from these values, are in reasonable agreement with those determined experimentally. © 1968 CSIRO. All rights reserved.
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页码：2737 / &
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