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β-D-吡喃半乳糖基-(1→4)-2-氨基-2-脱氧-α-D-吡喃葡萄糖盐酸盐一水合物(乳糖胺)

β-d-Galacto-pyranosyl-(1→4)-2-amino-2-de-oxy-α-d-gluco-pyran-ose hydro-chloride monohydrate (lactosamine).

作者信息

Mossine Valeri V, Kelley Steven P, Mawhinney Thomas P

机构信息

Department of Biochemistry, University of Missouri, Columbia, MO 65211, USA.

Department of Chemistry, University of Missouri, Columbia, MO 65211, USA.

出版信息

IUCrdata. 2022 Jan 28;7(Pt 1):x220061. doi: 10.1107/S241431462200061X. eCollection 2022 Jan.

Abstract

The title compound, CHNO ·Cl·HO, (), crystallizes in the monoclinic space group 2 and exists as a monohydrate of a monosubstituted ammonium chloride salt, with the reducing carbohydrate portion existing exclusively as the α-pyran-ose tautomer. The glycosidic bond geometry in () is stabilized by an intra-molecular hydrogen bond and is close to that found in crystalline α-lactose. All heteroatoms except gluco-pyran-ose ring O4 participate in an extensive hydrogen-bonding network, which propagates in all directions in the crystal structure of ().

摘要

标题化合物CHNO·Cl·HO()以单斜空间群2结晶,作为单取代氯化铵盐的一水合物存在,还原糖部分仅以α-吡喃糖互变异构体形式存在。()中的糖苷键几何结构通过分子内氢键得以稳定,且与结晶α-乳糖中的糖苷键几何结构相近。除葡萄糖吡喃糖环的O4外,所有杂原子都参与了一个广泛的氢键网络,该网络在()的晶体结构中向各个方向延伸。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1fad/9028551/e024c8ad682c/x-07-x220061-fig1.jpg

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