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Structure and Quantum Chemistry Study on Hexaacetyl D-Mannose Hydrazine

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【Author】 CAO Ruia LIU Xiao-Honga CHENG Chang-Meia② WANG Ru-Jia ZHAO Yu-Fena WANG Lai-Xib a (Key Laboratory of Bioorganic Phosphorus Chemistry & Chemical Biology (Ministry of Education), Department of Chemistry, Tsinghua University, Beijing 100084, China) b (Institute of Human Virology University of Maryland Biotechnology Institute University of Maryland, USA)

【摘要】 Hexaacetyl D-mannose hydrazine is one type of important intermediates in saccha- ride chemistry. In this paper, its single crystal was obtained and furthermore, X-ray diffraction and quantum chemistry calculation were performed. It belongs to orthorhombic system, space group P212121, with a = 16.267(3), b = 19.263(3), c = 7.1948(12) , Mr = 446.41, Dc = 1.315 g/cm3, V = 2254.5(6) 3 and Z = 4. Meanwhile, the experimental results also provide information for designing a kind of molecular switch based on the mannose nitrogenous derivatives.

【Abstract】 Hexaacetyl D-mannose hydrazine is one type of important intermediates in saccha- ride chemistry. In this paper, its single crystal was obtained and furthermore, X-ray diffraction and quantum chemistry calculation were performed. It belongs to orthorhombic system, space group P212121, with a = 16.267(3), b = 19.263(3), c = 7.1948(12) , Mr = 446.41, Dc = 1.315 g/cm3, V = 2254.5(6) 3 and Z = 4. Meanwhile, the experimental results also provide information for designing a kind of molecular switch based on the mannose nitrogenous derivatives.

【基金】 The project was supported by the National Natural Science Foundation of China (No. 20272031)
  • 【文献出处】 结构化学 ,Chinese Journal of Structural Chemistry , 编辑部邮箱 ,2007年08期
  • 【分类号】O631.3
  • 【下载频次】37
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