THEORETICAL-STUDIES ON THE CONFORMATION OF SACCHARIDES .13. DEPENDENCE ON SACCHARIDE CONFORMATION OF THE ONE-BOND AND 3-BOND CARBON PROTON COUPLING-CONSTANTS

被引：25

作者：

TVAROSKA, I

机构：

[1] Institute of Chemistry, Slovak Academy of Sciences

来源：

CARBOHYDRATE RESEARCH | 1990年 / 206卷 / 01期

关键词：

D O I：

10.1016/0008-6215(90)84005-F

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

A theoretical study is presented of the dependence on conformation of 1JC,H and 3JC,H values in model compounds related to glycosides. Calculated J values for dimethoxymethane and 2-methoxytetrahydropyran are based on the FPT formulation in the semiempirical INDO method. The configuration at the anomeric carbon affects the 1JC;H value, and the 1JC,H and 3JC,H values vary characteristically with dihedral angle about the carbonoxygen bond. The agreement of the calculated and experimental values is satisfactory, especially for the 3JC,H values. © 1990.

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页码：55 / 64

页数：10

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