(1R,3R,4R,5S,6R,7R,13R,15R,16R,17S,18R,20R,22R,23R,25R,27R,28R,30R,32R,33R,35R,37R,38S,39R,40S,41R,42S,43R,44S,45R)-4,5,16,17,38,39,40,41,42,43,44,45-dodecamethoxy-22,27,32,37-tetrakis(methoxymethyl)-2,9,11,14,19,21,24,26,29,31,34,36,46,47-tetradecaoxa-10lambda6-thiaoctacyclo[33.2.2.220,23.225,28.230,33.13,7.16,15.013,18]heptatetracontane 10,10-dioxide | 1380441-29-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,3R,4R,5S,6R,7R,13R,15R,16R,17S,18R,20R,22R,23R,25R,27R,28R,30R,32R,33R,35R,37R,38S,39R,40S,41R,42S,43R,44S,45R)-4,5,16,17,38,39,40,41,42,43,44,45-dodecamethoxy-22,27,32,37-tetrakis(methoxymethyl)-2,9,11,14,19,21,24,26,29,31,34,36,46,47-tetradecaoxa-10lambda6-thiaoctacyclo[33.2.2.220,23.225,28.230,33.13,7.16,15.013,18]heptatetracontane 10,10-dioxide
• 英文别名: (1R,3R,4R,5S,6R,7R,13R,15R,16R,17S,18R,20R,22R,23R,25R,27R,28R,30R,32R,33R,35R,37R,38S,39R,40S,41R,42S,43R,44S,45R)-4,5,16,17,38,39,40,41,42,43,44,45-dodecamethoxy-22,27,32,37-tetrakis(methoxymethyl)-2,9,11,14,19,21,24,26,29,31,34,36,46,47-tetradecaoxa-10λ6-thiaoctacyclo[33.2.2.220,23.225,28.230,33.13,7.16,15.013,18]heptatetracontane 10,10-dioxide
• CAS: 1380441-29-1
• 化学式: C₅₂H₉₀O₃₂S
• 分子量: 1259.33
• InChiKey: ABNCASNZVHOCJK-OQWQTNIPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.7
• 重原子数：
  85
• 可旋转键数：
  20
• 环数：
  22.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  319
• 氢给体数：
  0
• 氢受体数：
  32

反应信息

• 作为反应物：
  描述：

  (1R,3R,4R,5S,6R,7R,13R,15R,16R,17S,18R,20R,22R,23R,25R,27R,28R,30R,32R,33R,35R,37R,38S,39R,40S,41R,42S,43R,44S,45R)-4,5,16,17,38,39,40,41,42,43,44,45-dodecamethoxy-22,27,32,37-tetrakis(methoxymethyl)-2,9,11,14,19,21,24,26,29,31,34,36,46,47-tetradecaoxa-10lambda6-thiaoctacyclo[33.2.2.220,23.225,28.230,33.13,7.16,15.013,18]heptatetracontane 10,10-dioxide 、 二苯基膦 在 正丁基锂 、 硼烷四氢呋喃络合物 、 硫酸 作用下， 以 四氢呋喃 、 正己烷 、 水 为溶剂， 反应 15.0h， 以97%的产率得到
  参考文献：
  名称：

  Regioselective opening of proximally sulfato-capped cyclodextrins

  摘要：

  甲基环糊精（CD）衍生物中一或两对相邻葡萄糖单元的硫酸酯基团被发现可与多种亲核试剂发生位点选择性开环反应；该报道的方法为高效合成三差异化的α-和β-环糊精开辟了道路，而后者是制备杂多齿环状化合物的重要起始原料。

  DOI：

  10.1039/c2cc31302b
• 作为产物：
  描述：

  在 ruthenium trichloride 、 sodium periodate 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 12.0h， 以0.498 g的产率得到(1R,3R,4R,5S,6R,7R,13R,15R,16R,17S,18R,20R,22R,23R,25R,27R,28R,30R,32R,33R,35R,37R,38S,39R,40S,41R,42S,43R,44S,45R)-4,5,16,17,38,39,40,41,42,43,44,45-dodecamethoxy-22,27,32,37-tetrakis(methoxymethyl)-2,9,11,14,19,21,24,26,29,31,34,36,46,47-tetradecaoxa-10lambda6-thiaoctacyclo[33.2.2.220,23.225,28.230,33.13,7.16,15.013,18]heptatetracontane 10,10-dioxide
  参考文献：
  名称：

  Regioselective opening of proximally sulfato-capped cyclodextrins

  摘要：

  甲基环糊精（CD）衍生物中一或两对相邻葡萄糖单元的硫酸酯基团被发现可与多种亲核试剂发生位点选择性开环反应；该报道的方法为高效合成三差异化的α-和β-环糊精开辟了道路，而后者是制备杂多齿环状化合物的重要起始原料。

  DOI：

  10.1039/c2cc31302b