2^A-O-(1-Naphthalenesulfonyl)-6^B-O-(mesitylenesulfonyl)-α-cyclodextrin | 164177-12-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2^A-O-(1-Naphthalenesulfonyl)-6^B-O-(mesitylenesulfonyl)-α-cyclodextrin
• 英文别名: [(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-31,33,34,35,36,37,38,39,40,41,42-undecahydroxy-10,15,20,25,30-pentakis(hydroxymethyl)-5-[(2,4,6-trimethylphenyl)sulfonyloxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-32-yl] naphthalene-1-sulfonate
• CAS: 164177-12-2
• 化学式: C₅₅H₇₆O₃₄S₂
• 分子量: 1345.32
• InChiKey: YAZJZYKBDAZSCF-YSUTYNNISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.2
• 重原子数：
  91
• 可旋转键数：
  12
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  538
• 氢给体数：
  16
• 氢受体数：
  34

反应信息

• 作为反应物：
  描述：

  2^A-O-(1-Naphthalenesulfonyl)-6^B-O-(mesitylenesulfonyl)-α-cyclodextrin 在 barium dihydroxide 作用下， 以 乙醇 为溶剂， 以99.4%的产率得到2^A,3^A:3^B,6^B-Dianhydro-(2^AS)-α-cyclodextrin
  参考文献：
  名称：

  A Complete Set of 2A,6X-Di-O-diactivated .alpha.-Cyclodextrins

  摘要：

  Each regioisomer of 2(A)-O-(1-naphthalenesulfonyl)-6(X)-O-(mesitylenesulfonyl)-alpha-cyclodextrins (X = A-F), which was prepared by the reaction of 2-0-(1-naphthalenesulfonyl)-alpha-cyclodextrin with mesitylenesulfonyl chloride in pyridine, was isolated and structurally determined.

  DOI：

  10.1021/jo00117a013
• 作为产物：
  描述：

  2,4,6-三甲基苯磺酰氯 、 2-O-(1-Naphthalenesulfonyl)-α-cyclodextrin 在 吡啶 作用下， 以7.2%的产率得到2^A-O-(1-Naphthalenesulfonyl)-6^E-O-(mesitylenesulfonyl)-α-cyclodextrin
  参考文献：
  名称：

  A Complete Set of 2A,6X-Di-O-diactivated .alpha.-Cyclodextrins

  摘要：

  Each regioisomer of 2(A)-O-(1-naphthalenesulfonyl)-6(X)-O-(mesitylenesulfonyl)-alpha-cyclodextrins (X = A-F), which was prepared by the reaction of 2-0-(1-naphthalenesulfonyl)-alpha-cyclodextrin with mesitylenesulfonyl chloride in pyridine, was isolated and structurally determined.

  DOI：

  10.1021/jo00117a013