(1S,3S,5R,6S,8S,10R,11S,13S,15R,16S,18S,20R,21S,23S,25R,26S,28S,30R,31S,33S,35R,36R,37S,38R,39S,40R,41S,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(bromomethyl)-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol | 53784-83-1

• 物质功能分类: 化学试剂 - 有机试剂 - 环糊精
• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3S,5R,6S,8S,10R,11S,13S,15R,16S,18S,20R,21S,23S,25R,26S,28S,30R,31S,33S,35R,36R,37S,38R,39S,40R,41S,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(bromomethyl)-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
• CAS: 53784-83-1
• 化学式: C₄₂H₆₃Br₇O₂₈
• 分子量: 1575.27
• InChiKey: XNNRROJOWZLYCK-NLLPDMDESA-N

物化性质

• 熔点：
  217-221°C
• 沸点：
  1495.8±60.0 °C(Predicted)
• 密度：
  1.948±0.06 g/cm3(Predicted)
• 溶解度：
  Soluble in DMF, DMSO. Insoluble in water, methanol, chloroform.

计算性质

• 辛醇/水分配系数(LogP)：
  -4.9
• 重原子数：
  77
• 可旋转键数：
  7
• 环数：
  21.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  412
• 氢给体数：
  14
• 氢受体数：
  28

安全信息

• 海关编码：
  29400000
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335