(2S,3S,4S,5S,6R)-2-[2-[4-[[1,3-dithiophen-2-yl-5-[[1-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-4-yl]methoxymethyl]-4,6-dihydrocyclopenta[c]thiophen-5-yl]methoxymethyl]triazol-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 1361000-60-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2S,3S,4S,5S,6R)-2-[2-[4-[[1,3-dithiophen-2-yl-5-[[1-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-4-yl]methoxymethyl]-4,6-dihydrocyclopenta[c]thiophen-5-yl]methoxymethyl]triazol-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 1361000-60-3
• 化学式: C₃₉H₅₀N₆O₁₄S₃
• 分子量: 923.056
• InChiKey: QEIOEIHLBJFOCZ-UIEXXBSISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  62
• 可旋转键数：
  20
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  363
• 氢给体数：
  8
• 氢受体数：
  21

反应信息

• 作为产物：
  描述：

  2,2-dimethyl-5,5-di(prop-2-ynyl)-1,3-dioxane 在 copper(l) iodide 、 四(三苯基膦)钯 、 正丁基锂 、 二氯二茂锆 、 sodium methylate 、 silica gel 、 sodium hydride 、 二异丙胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 N,N-二甲基甲酰胺 、 乙腈 、 mineral oil 为溶剂， 反应 33.0h， 生成 (2S,3S,4S,5S,6R)-2-[2-[4-[[1,3-dithiophen-2-yl-5-[[1-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-4-yl]methoxymethyl]-4,6-dihydrocyclopenta[c]thiophen-5-yl]methoxymethyl]triazol-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  参考文献：
  名称：

  Synthesis of carbohydrate-functionalized thiophene-capped cyclopenta[c]thiophene for concanavalin A recognition

  摘要：

  Synthetic route to two different carbohydrate-functionalized oligothiophenes comprising central cyclopenta[c]thiophene (CPT) moiety was demonstrated. Turbidimetric analysis revealed enhanced interaction for divalent alpha-mannose-functionalized terthiophene 7 with Con A. The extent of binding interaction for 7-Con A complex formation was determined from isothermal titration calorimetry (ITC) measurements and the binding constant found (K-ITC) 2.4(6) x 10(5) M-1. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.01.034

文献信息

• Synthesis of carbohydrate-functionalized thiophene-capped cyclopenta[c]thiophene for concanavalin A recognition
  作者：Soumyajit Das、Santanu Mandal、Balaram Mukhopadhyay、Sanjio S. Zade

  DOI：10.1016/j.tetlet.2012.01.034

  日期：2012.3

  Synthetic route to two different carbohydrate-functionalized oligothiophenes comprising central cyclopenta[c]thiophene (CPT) moiety was demonstrated. Turbidimetric analysis revealed enhanced interaction for divalent alpha-mannose-functionalized terthiophene 7 with Con A. The extent of binding interaction for 7-Con A complex formation was determined from isothermal titration calorimetry (ITC) measurements and the binding constant found (K-ITC) 2.4(6) x 10(5) M-1. (C) 2012 Elsevier Ltd. All rights reserved.