5-Methyl-1-[3-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-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-10-yl]methylsulfanyl]propyl]pyrimidine-2,4-dione | 81644-56-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-Methyl-1-[3-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-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-10-yl]methylsulfanyl]propyl]pyrimidine-2,4-dione
• CAS: 81644-56-6
• 化学式: C₅₀H₈₀N₂O₃₆S
• 分子量: 1317.2
• InChiKey: GMDYMRMPCHNZHC-UHFFFAOYSA-N

物化性质

• 密度：
  1.570±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -14
• 重原子数：
  89
• 可旋转键数：
  12
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  609
• 氢给体数：
  21
• 氢受体数：
  37