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2,2',3,3'-四-O-苯甲酰基-6,6'-二脱氧-4,4'-二-O-甲磺酰基-6,6'-二硫氰酸根合-α,α-海藻糖

2,2',3,3'-Tetra-O-benzoyl-6,6'-dideoxy-4,4'-di-O-mesyl-6,6'- dithiocyanato-alpha,alpha-trehalose.

作者信息

Linden A, Lee C K

机构信息

Organisch-chemisches Institut, Universität Zürich, Switzerland.

出版信息

Acta Crystallogr C. 1995 Apr 15;51 ( Pt 4):751-4. doi: 10.1107/s0108270194011595.

Abstract

The low-temperature X-ray crystal structure of 2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-alpha-D-glu copyranosyl 2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-alpha-D-glu copyranoside (the title compound), C44H40N2O17S4, is reported. The absolute configuration has been determined. The molecule has only approximate C2 symmetry but the differences in the orientation of the C(5) substituents and the torsion angles about the glycosidic linkage are very much less than in alpha,alpha-trehalose and its derivatives. Each of the hexopyranosyl residues has a nearly perfect 4C1 conformation. The planes of the phenyl rings of the benzoyl groups are oriented such that they are approximately perpendicular to the plane of the parent pyranose ring.

摘要

报道了2,3 - 二 - O - 苯甲酰基 - 6 - 脱氧 - 4 - O - 甲磺酰基 - 6 - 硫氰酸根合 - α - D - 吡喃葡萄糖基2,3 - 二 - O - 苯甲酰基 - 6 - 脱氧 - 4 - O - 甲磺酰基 - 6 - 硫氰酸根合 - α - D - 吡喃葡萄糖苷(标题化合物)C44H40N2O17S4的低温X射线晶体结构。确定了其绝对构型。该分子仅具有近似的C2对称性,但C(5)取代基的取向差异以及糖苷键周围的扭转角差异远小于α,α - 海藻糖及其衍生物中的差异。每个己吡喃糖残基都具有近乎完美的4C1构象。苯甲酰基的苯环平面取向使得它们大致垂直于母吡喃糖环的平面。

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