10-[2-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-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]methylamino]ethyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione | 1382411-73-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 10-[2-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-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]methylamino]ethyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
• CAS: 1382411-73-5
• 化学式: C₅₇H₈₈N₂O₃₆
• 分子量: 1377.32
• InChiKey: HSABFBJEGGYZKM-JBUIHEFPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -14
• 重原子数：
  95
• 可旋转键数：
  11
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  583
• 氢给体数：
  21
• 氢受体数：
  38

反应信息

• 作为产物：
  描述：

  2,2'-亚甲基二[1,3-环己烷二酮] 、 mono-6-deoxy-6-(2-aminoethylamino)-β-cyclodextrin 以 甲苯 为溶剂， 反应 48.0h， 以40%的产率得到10-[2-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-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]methylamino]ethyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
  参考文献：
  名称：

  Synthesis and characterization of NADH model compound modified β-cyclodextrin and its role as an energy donor in FRET

  摘要：

  beta-Cyclodextrin is chemically modified to selectively introduce an acridinedione moiety on the primary face. The synthesis involves the substitution of one of the primary hydroxyl groups of beta-cyclodextrin by a tosyl group which facilitates the introduction of an ethylene diamine modification which is finally condensed to a tetraketone. The acridinedione modified beta-cyclodextrin thus obtained was fully characterized by IR, NMR and Mass spectrometry. The photophysical properties of the compound were also analyzed. The potential of the modified beta-cyclodextrin to act as an energy donor in FRET was investigated with a suitable acceptor. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2011.12.007

文献信息

• Synthesis and characterization of NADH model compound modified β-cyclodextrin and its role as an energy donor in FRET
  作者：R. Krishnaveni、P. Ramamurthy、E.J. Padma Malar、P. Divya

  DOI：10.1016/j.jphotochem.2011.12.007

  日期：2012.2

  beta-Cyclodextrin is chemically modified to selectively introduce an acridinedione moiety on the primary face. The synthesis involves the substitution of one of the primary hydroxyl groups of beta-cyclodextrin by a tosyl group which facilitates the introduction of an ethylene diamine modification which is finally condensed to a tetraketone. The acridinedione modified beta-cyclodextrin thus obtained was fully characterized by IR, NMR and Mass spectrometry. The photophysical properties of the compound were also analyzed. The potential of the modified beta-cyclodextrin to act as an energy donor in FRET was investigated with a suitable acceptor. (C) 2011 Elsevier B.V. All rights reserved.