3-[[2-(2-Aminoethoxy)-3-ethyl-5-sulfophenyl]methyl]-4-hydroxy-5-methylbenzenesulfonic acid;3-[[3-ethyl-2-[2-[[7-methyl-10-(sulfanylamino)-6-[5-(sulfanylamino)pentan-2-yl]decanoyl]amino]ethoxy]-5-sulfophenyl]methyl]-4-hydroxy-5-methylbenzenesulfonic acid;1-(6-hexan-2-yl-7-methylundecanoyl)-3,4-dihydropyrrol-4-ylium-2,5-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[[2-(2-Aminoethoxy)-3-ethyl-5-sulfophenyl]methyl]-4-hydroxy-5-methylbenzenesulfonic acid;3-[[3-ethyl-2-[2-[[7-methyl-10-(sulfanylamino)-6-[5-(sulfanylamino)pentan-2-yl]decanoyl]amino]ethoxy]-5-sulfophenyl]methyl]-4-hydroxy-5-methylbenzenesulfonic acid;1-(6-hexan-2-yl-7-methylundecanoyl)-3,4-dihydropyrrol-4-ylium-2,5-dione
• 英文别名: 3-[[2-(2-aminoethoxy)-3-ethyl-5-sulfophenyl]methyl]-4-hydroxy-5-methylbenzenesulfonic acid;3-[[3-ethyl-2-[2-[[7-methyl-10-(sulfanylamino)-6-[5-(sulfanylamino)pentan-2-yl]decanoyl]amino]ethoxy]-5-sulfophenyl]methyl]-4-hydroxy-5-methylbenzenesulfonic acid;1-(6-hexan-2-yl-7-methylundecanoyl)-3,4-dihydropyrrol-4-ylium-2,5-dione
• 化学式: C74H116N5O20S6+
• 分子量: 1588.1
• InChiKey: MVUARPIVDZYMJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.71
• 重原子数：
  105
• 可旋转键数：
  45
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  446
• 氢给体数：
  12
• 氢受体数：
  25