[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47S,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,42,43,44,45,46,47,49,50,51,52,53,54,55,56-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-48-yl] pyrene-1-carboxylate | 126332-07-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47S,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,42,43,44,45,46,47,49,50,51,52,53,54,55,56-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-48-yl] pyrene-1-carboxylate
• CAS: 126332-07-8
• 化学式: C₆₅H₈₈O₄₁
• 分子量: 1525.39
• InChiKey: PBJVVVNMROUNOJ-HQQIGMQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.64
• 重原子数：
  106.0
• 可旋转键数：
  10.0
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  639.27
• 氢给体数：
  23.0
• 氢受体数：
  41.0

反应信息

• 作为产物：
  描述：

  4-nitrophenyl 1-pyrenecarboxylate 、 γ-环糊精 生成 [(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47S,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,42,43,44,45,46,47,49,50,51,52,53,54,55,56-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-48-yl] pyrene-1-carboxylate
  参考文献：
  名称：

  SUZUKI, IWAO;UENO, AKIHIKO;OSA, TETSUO, CHEM. LETT.,(1989) N1, C. 2013-2016

  摘要：

  DOI：

文献信息

• Suzuki, Iwao; Ueno, Akihiko; Osa, Tetsuo, Chemistry Letters, 1989, p. 2013 - 2016
  作者：Suzuki, Iwao、Ueno, Akihiko、Osa, Tetsuo

  DOI：——

  日期：——