O3,O5,O6-triacetyl-O1,O2-((S)-2,2,2-trichloro-ethylidene)-α-D-glucofuranose | 87987-62-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: O3,O5,O6-triacetyl-O1,O2-((S)-2,2,2-trichloro-ethylidene)-α-D-glucofuranose
• 英文别名: O³,O⁵,O⁶-triacetyl-O¹,O²-((S)-2,2,2-trichloro-ethylidene)-α-D-glucofuranose；O³,O⁵,O⁶-Triacetyl-O¹,O²-((S)-2,2,2-trichlor-aethyliden)-α-D-glucofuranose；β-Glucochloralose-triacetat
• CAS: 87987-62-0；90529-00-3
• 化学式: C₁₄H₁₇Cl₃O₉
• 分子量: 435.643
• InChiKey: IAEBTKJVLCXRHG-LYUGOTMTSA-N

物化性质

• 沸点：
  479.3±45.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.25
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  106.59
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  O3,O5,O6-triacetyl-O1,O2-((S)-2,2,2-trichloro-ethylidene)-α-D-glucofuranose 在 甲醇 、 sodium methylate 作用下， 生成 β-氯醛糖
  参考文献：
  名称：

  Glucofuranose derivatives as a library for designing and investigating low molecular mass organogelators

  摘要：

  We designed and synthesized a class of saccharide-based gelators having three free OH groups in the glucofuranose fragment. The gelating abilities of fourteen compounds were examined to systematically study the influence of the hydrophobic fragment connected to the C2' carbon. Also the correlation between the saccharide crystal structure and its gelating properties was examined, showing limited usefulness in this particular case. SEM observations were carried out in order to investigate the hierarchical structure of xerogels and changes depending on different gel concentration. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.07.093
• 作为产物：
  描述：

  乙酰氯 、 β-氯醛糖 在 吡啶 作用下， 生成 O3,O5,O6-triacetyl-O1,O2-((S)-2,2,2-trichloro-ethylidene)-α-D-glucofuranose
  参考文献：
  名称：

  STRUCTURE OF THE CHLORALOSES. BETA-XYLOCHLORALOSE

  摘要：

  DOI：

  10.1021/ja01371a024