(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-六(羟甲基)-2,4,7,9,12,14,17,19,22,24,27,29-十二氧杂七环[26.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,2 | 135514-70-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-六(羟甲基)-2,4,7,9,12,14,17,19,22,24,27,29-十二氧杂七环[26.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,2
• 英文名称: alpha-Cyclodextrin, hexakis(hydrogen sulfate)
• 英文别名: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol;sulfuric acid
• CAS: 135514-70-4
• 化学式: C36H72O54S6
• 分子量: 1561.3
• InChiKey: FFWHUKVWDBRDGO-WWKXUIADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -16.97
• 重原子数：
  96
• 可旋转键数：
  6
• 环数：
  22.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  973
• 氢给体数：
  30
• 氢受体数：
  54