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胞苷、乙烯基胞苷及其质子化盐的结构比较分析。I. 乙烯基胞苷的晶体结构和分子结构。

Comparative structural analysis of cytidine, ethenocytidine, and their protonated salts. I. Crystal and molecular structure of ethenocytidine.

作者信息

Jaskólski M, Krzyzosiak W, Sierzputowska-Gracz H, Wiewiórowski M

出版信息

Nucleic Acids Res. 1981 Oct 24;9(20):5423-42. doi: 10.1093/nar/9.20.5423.

Abstract

The X-ray crystal and molecular structure of 3,N4-ethenocytidine (comes from Cyd) has been solved and refined on counter data to R = 0.038. A detailed discussion of the base electronic structure, molecular conformation and intermolecular interactions is the starting point for a comparative analysis of the series: Cyd, epsilon Cyd, Cyd . HCll and epsilon Cyd . HCl. Protonation changes the base electronic structure and results in a completely different molecular conformation and intermolecular interactions. Etheno-bridging does not alter the molecular conformation but it also changes the intermolecular interactions.

摘要

3,N4-乙烯基胞苷(源自胞苷)的X射线晶体结构和分子结构已根据计数器数据解析并精修至R = 0.038。对该系列(胞苷、ε-胞苷、胞苷·HCl和ε-胞苷·HCl)进行比较分析的起点是对碱基电子结构、分子构象和分子间相互作用的详细讨论。质子化改变了碱基电子结构,导致分子构象和分子间相互作用完全不同。乙烯基桥连不会改变分子构象,但也会改变分子间相互作用。

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