α-cellotetraose | 69429-16-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: α-cellotetraose
• 英文别名: cellotetraose；maltotetraose；(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 69429-16-9
• 化学式: C₂₄H₄₂O₂₁
• 分子量: 666.585
• InChiKey: LUEWUZLMQUOBSB-JHIGRJAOSA-N

物化性质

• 沸点：
  1030.9±65.0 °C(Predicted)
• 密度：
  1.83±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -9
• 重原子数：
  45
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  348
• 氢给体数：
  14
• 氢受体数：
  21

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 α-cellotetraose 在 吡啶 作用下， 反应 3.0h， 生成 α-cellotetraose tetradecaacetate
  参考文献：
  名称：

  Studies of the series of cellooligosaccharide peracetates as a model for cellulose triacetate by 13C CP/MAS NMR spectroscopy and X-ray analyses

  摘要：

  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.

  DOI：

  10.1016/s0008-6215(99)00218-9
• 作为产物：
  描述：

  cellotetraose tetradecaacetate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 O-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->4)-β-D-glucopyranose 、 α-cellotetraose
  参考文献：
  名称：

  First synthesis of cellooctaose by a convergent synthetic method

  摘要：

  DOI：

  10.1016/s0008-6215(96)00203-0

文献信息

• 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.
• First synthesis of cellooctaose by a convergent synthetic method
  作者：T Nishimura

  DOI：10.1016/s0008-6215(96)00203-0

  日期：1996.11.20