beta-Cyclodextrin tetradecasulfate | 121369-51-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: beta-Cyclodextrin tetradecasulfate
• 英文别名: [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21S,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-42-hydroxy-5,10,15,25,30,35-hexakis(hydroxymethyl)-36,37,38,39,40,41,44,45,46,47,48,49-dodecasulfooxy-20-(sulfooxymethyl)-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-43-yl] hydrogen sulfate
• CAS: 121369-51-5
• 化学式: C₄₂H₇₀O₇₇S₁₄
• 分子量: 2255.9
• InChiKey: AMHIJMKZPBMCKI-PKLGAXGESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -20.4
• 重原子数：
  133
• 可旋转键数：
  35
• 环数：
  21.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  1280
• 氢给体数：
  21
• 氢受体数：
  77