ethane;4-[11-[4-(hydroxy-methyl-oxido-oxo-lambda6-sulfanyl)phenyl]-3,7,9,13-tetrakis(4-sulfophenyl)tetradecan-5-yl]benzenesulfonate;7-methyl-5-[5-[7-[7-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,5-dihydro-2H-thieno[3,4-b][1,4]dioxin-4-ium-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

• 分子结构分类: 有机化合物 - 有机聚合物 - 聚苯乙烯
• 英文名称: ethane;4-[11-[4-(hydroxy-methyl-oxido-oxo-lambda6-sulfanyl)phenyl]-3,7,9,13-tetrakis(4-sulfophenyl)tetradecan-5-yl]benzenesulfonate;7-methyl-5-[5-[7-[7-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,5-dihydro-2H-thieno[3,4-b][1,4]dioxin-4-ium-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
• 英文别名: ethane;4-[11-[4-(hydroxy-methyl-oxido-oxo-λ6-sulfanyl)phenyl]-3,7,9,13-tetrakis(4-sulfophenyl)tetradecan-5-yl]benzenesulfonate;7-methyl-5-[5-[7-[7-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,5-dihydro-2H-thieno[3,4-b][1,4]dioxin-4-ium-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
• 化学式: C91H92O30S12
• 分子量: 2050.5
• InChiKey: NGTTVYCUPHCFLY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  16.98
• 重原子数：
  133
• 可旋转键数：
  23
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  635
• 氢给体数：
  5
• 氢受体数：
  35