[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,36S,38R,42S,44S,46S,48S,50S,52S,54S,56S)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-5,10,15,25,30,35,40-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-20-yl]methyl 4-methylbenzenesulfonate | 97227-33-3

• 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,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,36S,38R,42S,44S,46S,48S,50S,52S,54S,56S)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-5,10,15,25,30,35,40-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-20-yl]methyl 4-methylbenzenesulfonate
• CAS: 97227-33-3
• 化学式: C₅₅H₈₆O₄₂S
• 分子量: 1451.3
• InChiKey: DSTZIMMHXKJUSO-UQEOIKNASA-N

物化性质

• 密度：
  1.595±0.06 g/cm3(Predicted)
• 溶解度：
  溶于二甲基甲酰胺

计算性质

• 辛醇/水分配系数(LogP)：
  -15.1
• 重原子数：
  98
• 可旋转键数：
  11
• 环数：
  31.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  665
• 氢给体数：
  23
• 氢受体数：
  42