theta-Cyclodextrin | 156510-95-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: theta-Cyclodextrin
• 英文别名: (1S,3R,4S,6R,7S,9R,10R,11R,12S,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,36R,37S,39R,41R,42S,44R,46R,47S,49R,51R,52S,54R,56R,57S,59R,61R,62S,64R,65R,66R,67R,69R,70R,71R,72R,73R,74R,75R,76R,77R,78R,79R,80R,81R,82R,83R,84R,85R,86R,87R,88R,89R,91S)-6,16,21,26,31,36,41,46,51,56,61,67,89-tridecakis(hydroxymethyl)-2,5,8,13,15,18,20,23,25,28,30,33,35,38,40,43,45,48,50,53,55,58,60,63,68,90-hexacosaoxatetradecacyclo[62.2.2.29,12.214,17.219,22.224,27.229,32.234,37.239,42.244,47.249,52.254,57.259,62.13,7]hennonacontane-4,10,11,65,66,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,91-hexacosol
• CAS: 156510-95-1
• 化学式: C₇₈H₁₃₀O₆₅
• 分子量: 2107.8
• InChiKey: YTCJPMWRBDVDMB-ZQMQSLPDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -27.9
• 重原子数：
  143
• 可旋转键数：
  13
• 环数：
  32.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  1030
• 氢给体数：
  39
• 氢受体数：
  65