(1R,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,39R,41R,42R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R,57R)-5,10,15,20,25,30,35,42-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,40,43-heptadecaoxadecacyclo[36.3.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36.039,41]heptapentacontane-44,45,46,47,48,49,50,51,52,53,54,55,56,57-tetradecol | 129941-68-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,39R,41R,42R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R,57R)-5,10,15,20,25,30,35,42-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,40,43-heptadecaoxadecacyclo[36.3.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36.039,41]heptapentacontane-44,45,46,47,48,49,50,51,52,53,54,55,56,57-tetradecol
• CAS: 129941-68-0
• 化学式: C₄₈H₇₈O₃₉
• 分子量: 1279.12
• InChiKey: PBGSMEIHWGQXEG-HSEONFRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -16.2
• 重原子数：
  87
• 可旋转键数：
  8
• 环数：
  31.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  605
• 氢给体数：
  22
• 氢受体数：
  39

反应信息

• 作为反应物：
  描述：

  (1R,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,39R,41R,42R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R,57R)-5,10,15,20,25,30,35,42-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,40,43-heptadecaoxadecacyclo[36.3.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36.039,41]heptapentacontane-44,45,46,47,48,49,50,51,52,53,54,55,56,57-tetradecol 在 氨 作用下， 反应 48.0h， 生成 3A-amino-3A-deoxy-(2AS,3AS)-γ-cyclodextrin
  参考文献：
  名称：

  Synthesis and characterisation of the 3-amino-derivative of γ-cyclodextrin, showing receptor ability and metal ion coordination properties

  摘要：

  The 3-hydroxy group of one glucopyranosinic ring of gamma-cyclodextrin was selectively substituted with an amino moiety to obtain a new compound able to complex copper(II). Indeed, the new ligand, an altro-gamma-CD, forms stable complexes with Cu(II), as the analogous 3-amino derivative P-CD previously exploited for the chiral separation of some amino acids by ligand exchange mechanism in capillary electrophoresis. Furthermore, the ligand forms a stable inclusion complex with anthraquinone-2-sulfonate. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.05.093
• 作为产物：
  描述：

  [(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26R,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,42,43,44,45,46,48,49,50,51,52,53,54,55,56-pentadecahydroxy-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-47-yl] 5-(dimethylamino)naphthalene-1-sulfonate 在 potassium carbonate 作用下， 生成 (1R,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,39R,41R,42R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R,57R)-5,10,15,20,25,30,35,42-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,40,43-heptadecaoxadecacyclo[36.3.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36.039,41]heptapentacontane-44,45,46,47,48,49,50,51,52,53,54,55,56,57-tetradecol
  参考文献：
  名称：

  Syntheses and Molecular Recognition Abilities of 6-O-, 2-O-, and 3-O-Dansyl-γ-Cyclodextrins

  摘要：

  通过γ-CD 与丹酰氯在不同条件下的反应，合成了 6-O-、2-O-和 3-O-丹酰-γ-CD（γ-1、γ-2 和γ-3）作为荧光传感器。它们对各种有机化合物表现出明显不同的分子识别能力。客体的分子大小和分子结构是影响这些传感器系统灵敏度的重要因素。

  DOI：

  10.1246/cl.1992.863

文献信息

• Simple and Convenient Method for Synthesis of 3-<i>O</i>-Sulfonyl- γ-cyclodextrin
  作者：Tsutomu Tahara、Kahee Fujita、Toshitaka Koga

  DOI：10.1246/bcsj.63.1409

  日期：1990.5

  3-O-(2-Naphthylsulfonyl)-γ-cyclodextrin was prepared together with 2-O-(2-naphthylsulfonyl)-γ-cyclodextrin by a reaction of γ-cyclodextrin with 2-naphthalenesulfonyl chloride in aqueous CH3CN, isolated, and structurally determined.

  通过γ-环糊精与 2-萘磺酰氯在 CH3CN 水溶液中的反应，制备了 3-O-(2-萘磺酰基)-γ-环糊精和 2-O-(2-萘磺酰基)-γ-环糊精，并对其进行了分离和结构测定。
• Fujita, Kahee; Tahara, Tsutomu; Koga, Toshitaka, Chemistry Letters, 1990, # 5, p. 743 - 746
  作者：Fujita, Kahee、Tahara, Tsutomu、Koga, Toshitaka

  DOI：——

  日期：——
• FUJITA, KAHEE;TAHARA, TSUTOMU;KOGA, TOSHITAKA, CHEM. LETT.,(1990) N, C. 743-746
  作者：FUJITA, KAHEE、TAHARA, TSUTOMU、KOGA, TOSHITAKA

  DOI：——

  日期：——