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α-L-鼠李糖基-(1→2)-α-L-鼠李吡喃糖苷一水合物的晶体结构

Crystal structure of methyl α-l-rhamno-pyranosyl-(1→2)-α-l-rhamno-pyran-oside monohydrate.

作者信息

Eriksson Lars, Widmalm Göran

机构信息

Department of Materials and Environmental Chemistry, Stockholm University, SE-106 91, Stockholm, Sweden.

Department of Organic Chemistry, Stockholm University, SE-106 91, Stockholm, Sweden.

出版信息

Acta Crystallogr E Crystallogr Commun. 2019 May 24;75(Pt 6):854-857. doi: 10.1107/S2056989019006935. eCollection 2019 Jun 1.

Abstract

The title compound, CHO·HO, a structural model for part of bacterial O-anti-gen polysaccharides from and , crystallizes with four independent disaccharide mol-ecules and four water mol-ecules in the asymmetric unit. The conformation at the glycosidic linkage joining the two rhamnosyl residues is described by the torsion angles φ of 39, 30, 37 and 37°, and ψ of -32, -35, -31 and -32°, which are the major conformation region known to be populated in an aqueous solution. The hexo-pyran-ose rings have the chair conformation. In the crystal, the disaccharide and water mol-ecules are associated through O-H⋯O hydrogen bonds, forming a layer parallel to the plane. The layers stack along the axis hydro-phobic inter-actions between the methyl groups.

摘要

标题化合物CHO·HO,是来自[具体来源1]和[具体来源2]的部分细菌O抗原多糖的结构模型,在不对称单元中与四个独立的二糖分子和四个水分子一起结晶。连接两个鼠李糖基残基的糖苷键处的构象由扭转角φ(分别为39°、30°、37°和37°)和ψ(分别为-32°、-35°、-31°和-32°)描述,这些是已知在水溶液中占主导的主要构象区域。己吡喃糖环具有椅式构象。在晶体中,二糖和水分子通过O-H⋯O氢键相互关联,形成平行于[具体平面]平面的一层。这些层沿着[具体轴]轴堆叠,甲基之间存在疏水相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ce2/6658941/f73d48bfecee/e-75-00854-fig1.jpg

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