(1S,3R,6S,8R,11S,13R,16S,20R,21S,23R,26S,28R,31S,33R,38S,44S,46S,47R,49R,51R)-33-[(2S)-1,2-dihydroxypropyl]-21-(2-hydroxy-1-methoxyethyl)-5,10,15,25,30,35,40-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,22,24,27,29,32,34,37,39-pentadecaoxaheptacyclo[36.2.2.23,6.28,11.213,16.223,26.228,31]dopentacontane-19,20,41,42,43,44,45,46,47,48,49,50,51,52-tetradecol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3R,6S,8R,11S,13R,16S,20R,21S,23R,26S,28R,31S,33R,38S,44S,46S,47R,49R,51R)-33-[(2S)-1,2-dihydroxypropyl]-21-(2-hydroxy-1-methoxyethyl)-5,10,15,25,30,35,40-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,22,24,27,29,32,34,37,39-pentadecaoxaheptacyclo[36.2.2.23,6.28,11.213,16.223,26.228,31]dopentacontane-19,20,41,42,43,44,45,46,47,48,49,50,51,52-tetradecol
• 化学式: C₅₀H₈₈O₄₀
• 分子量: 1329.2
• InChiKey: PEZVNRRFNGLKHI-XBYDMKAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -16.6
• 重原子数：
  90
• 可旋转键数：
  12
• 环数：
  15.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  633
• 氢给体数：
  24
• 氢受体数：
  40

文献信息

• [DE] KOMBINATIONEN AUS ALKYLAMIDOTHIAZOLEN UND CYCLODEXTRINEN<br/>[EN] COMBINATIONS OF ALKYLAMIDOTHIAZOLES AND CYCLODEXTRINS<br/>[FR] ASSOCIATIONS D'ALKYLAMIDOTHIAZOLES ET DE CYCLODEXTRINES
  申请人：BEIERSDORF AG

  公开号：WO2014139741A1

  公开（公告）日：2014-09-18

  Wirkstoffkombinationen aus Alkylamidothiazolen einem oder mehreren Cyclodextrinen.