| 1361000-59-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1361000-59-0
• 化学式: C₅₅H₆₆N₆O₂₂S₃
• 分子量: 1259.35
• InChiKey: WRCPLLQAPFMXCW-LXXPCAHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.11
• 重原子数：
  86.0
• 可旋转键数：
  28.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  327.2
• 氢给体数：
  0.0
• 氢受体数：
  31.0

反应信息

• 作为反应物：
  描述：

  在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以89%的产率得到(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
• 作为产物：
  描述：

  [5-(hydroxymethyl)-1,3-dithiophen-2-yl-4,6-dihydrocyclopenta[c]thiophen-5-yl]methanol 在 copper(l) iodide 、 sodium hydride 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 、 mineral oil 为溶剂， 反应 5.0h， 生成
  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