首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Methyl α-l-rhamnosyl-(1→2)α-l-rhamnosyl-(1→3)-α-l-rhamnoside penta­hydrate: synchrotron study
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Methyl α-l-rhamnosyl-(1→2)α-l-rhamnosyl-(1→3)-α-l-rhamnoside penta­hydrate: synchrotron study

机译:甲基α-1鼠李糖基-(1→2)α-1鼠李糖基-(1→3)-α-1鼠李糖苷五水合物:同步加速器研究

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摘要

The title hydrate, C19H34O13·5H2O, contains a vicinally disubstituted tris­accharide in which the two terminal rhamnosyl sugar groups are positioned adjacent to each other. The conformation of the tris­accharide is described by the glycosidic torsion angles ϕ2 = 48 (1)°, ψ2 = −29 (1)°, ϕ3 = 44 (1)° and ψ3 = 4 (1)°, whereas the ψ2 torsion angle represents a conformation from the major state in solution, the ψ3 torsion angle conformation may have been caught near a potential energy saddle-point when compared to its solution structure, in which at least two but probably three conformational states are populated. Extensive inter­molecular O—H⋯O hydrogen bonding is present in the crystal and a water-containing channel is formed along the b-axis direction.
机译:标题的水合物C19H34O13·5H2O含有一个在附近二个鼠李糖基糖基彼此相邻的邻二取代三糖。三糖的构型由糖苷扭转角ϕ2 = 48(1)°,ψ2= -29(1)°,ϕ3 = 44(1)°和ψ3= 4(1)°来描述,而ψ2扭转角代表溶液中主要状态的构象,与其中的至少两个但可能是三个构象状态组成的溶液结构相比,ψ3扭转角构象可能已陷在势能鞍点附近。晶体中存在广泛的分子间OH-H = O氢键,并且沿b轴方向形成了水通道。

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