Eicosa-O-acetyl-α-lin-[1β]4]hexa-D-glucopyranose | 102671-24-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Eicosa-O-acetyl-α-lin-[1β]4]hexa-D-glucopyranose
• CAS: 102671-24-9；121707-91-3；121786-51-4；127309-04-0；132244-72-5
• 化学式: C₇₆H₁₀₂O₅₁
• 分子量: 1831.62
• InChiKey: XSGOGJVBNJFJDH-DQMWKIJESA-N

物化性质

• 沸点：
  1273.4±65.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.68
• 重原子数：
  127.0
• 可旋转键数：
  36.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  627.53
• 氢给体数：
  0.0
• 氢受体数：
  51.0

反应信息

• 作为产物：
  描述：

  乙酸酐 、 alkaline earth salt of/the/ methylsulfuric acid 在 硫酸 、 溶剂黄146 作用下， 生成 Eicosa-O-acetyl-α-lin-[1β]4]hexa-D-glucopyranose
  参考文献：
  名称：

  The Polymer-homologous Series of Oligosaccharides from Cellulose¹

  摘要：

  DOI：

  10.1021/ja01141a032

文献信息

• Oligosaccharide Analogues of Polysaccharides. Part 26
  作者：Kadiyala V. S. N. Murty、Tong Xie、Bruno Bernet、Andrea Vasella

  DOI：10.1002/hlca.200690068

  日期：2006.4

  cellulose I, and the ethynyl and buta-1,3-diynyl linker units ensure an appropriate phase shift between them. The H-bonding of the T-x-x mimics was analysed and compared to the one of the mono-chained analogues T-x and of the known cellulose II mimics N-x-x and N-x where one or two cellodextrin chains are O-glycosidically bonded to naphthalene-1,8-diethanol, or to naphthalene-1-ethanol. The OH signals of

  蒽醌衍生物Txx（x  = 2、4和8）分别具有两个纤维二糖基，纤维四糖基和纤维八糖基链，在C（1）和C（8）上键合的C-糖苷被合成为纤维素I的潜在模拟物。蒽醌模板在与纤维素I的晶体学独立链之间的距离相对应的距离上，使纤维糊精链平行取向，并且乙炔基和1,3-二乙炔基连接基团确保它们之间的适当相移。分析了Txx模拟物的H键并与单链类似物Tx和已知的纤维素II模拟物Nxx和Nx之一进行了比较其中一个或两个纤维糊精链通过O-糖基键合到萘1,8-二乙醇或萘-1-乙醇上。根据DQFCOSY，HSQC和TOCSY（仅​​适用于T-4，T-4-4和T-8-8）光谱以及根据DQFCOSY，HSQC和TOCSY分配（D 6）DMSO中溶液中Tx和Txx的OH信号与Nx和Nxx的光谱进行比较。根据OH基团的化学位移及其温度依赖性，偶联常数，SIMPLE 1 H-NMR实验和ROESY光谱对氢键进行了分析。T-4-4和T-8-8
• Studies of the series of cellooligosaccharide peracetates as a model for cellulose triacetate by 13C CP/MAS NMR spectroscopy and X-ray analyses
  作者：Hiroyuki Kono、Yukari Numata、Nobuhiro Nagai、Tomoki Erata、Mitsuo Takai

  DOI：10.1016/s0008-6215(99)00218-9

  日期：1999.12

  The series of crystalline oligomers from alpha-cellobiose octaacetate through alpha-cellohexaose eicosaacetate, listed as below, was prepared from homogeneous acetylation of the corresponding cellooligosaccharides and characterized by C-13 CP/MAS NMR spectroscopy and X-ray analysis in order to obtain the structural models of cellulose triacetate (CTA) in solid state. Progressing toward the hexamer, the NMR spectral feature of the oligomers, in comparison with two allomorphs of CTA I and CTA II, gradually approached that of CTA I. Specifically, chemical shifts of both the hexamer and the pentamer were in considerable respective agreement with those of CTA I. In addition, X-ray diffraction patterns of the oligomers established that the crystalline pentamer and hexamer have a CTA I lattice in spite of recrystallization from ethylacetate-hexane. We therefore concluded that the pentamer and hexamer would be useful models for the CTA I structure. (C) 1999 Elsevier Science Ltd. All rights reserved.
• Dickey; Wolfrom, Journal of the American Chemical Society, <hi>1949</hi>, vol. 71, p. 825,826
  作者：Dickey、Wolfrom

  DOI：——

  日期：——