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.

引用

页码：2737 / &

共 44 条

[1]

Ahluwahlia R., 1967, CARBOHYD RES, V4, P478, DOI [10.1016/S0008-6215(00)81839-X, DOI 10.1016/S0008-6215(00)81839-X]

[2] USE OF REMOTE DEUTERATION FOR DETERMINATION OF COUPLING CONSTANTS AND CONFORMATIONAL EQUILIBRIA IN CYCLOHEXANE DERIVATIVES [J].