6^A,6^D-ditosylated permethyl-β-cyclodextrin | 126628-34-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6^A,6^D-ditosylated permethyl-β-cyclodextrin
• 英文别名: [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,15,20,25,35-pentakis(methoxymethyl)-30-[(4-methylphenyl)sulfonyloxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methyl 4-methylbenzenesulfonate
• CAS: 126628-34-0
• 化学式: C₇₅H₁₂₀O₃₉S₂
• 分子量: 1709.89
• InChiKey: ATSPAPWSEREJDX-BGIBJNRLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.64
• 重原子数：
  116.0
• 可旋转键数：
  32.0
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  391.33
• 氢给体数：
  0.0
• 氢受体数：
  39.0

反应信息

• 作为产物：
  描述：

  [(1R,3R,5R,6R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-20-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methanol 以72%的产率得到
  参考文献：
  名称：

  KURODA, YASUHISA;KOBAYASHI, OSAMU;SUZUKI, YASUHIKO;OGOSHI, HISANOBU, TETRAHEDRON LETT., 30,(1989) N1, C. 7225-7228

  摘要：

  DOI：

文献信息

• 5A,5D-dicarboxy-β-cyclodextrin derivatives - a route for regioselectively difunctionalized permethyl-β-cyclodextrin
  作者：Yasuhisa Kuroda、Osamu Kobayashi、Yasuhiko Suzuki、Hisanobu Ogoshi

  DOI：10.1016/s0040-4039(01)93941-3

  日期：1989.1