Methyl 2-[5-[3-[4-[2-[5-[[4-[(2-amino-9,9-dimethylpurin-9-ium-6-yl)oxymethyl]phenyl]methylcarbamoyl]-1-methylpyridin-1-ium-2-yl]ethylamino]-4-oxobutyl]-1-ethyl-3-methyl-5-methylsulfonylindol-2-ylidene]penta-1,3-dienyl]-1-ethyl-3,3-dimethylindol-1-ium-5-sulfonate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Methyl 2-[5-[3-[4-[2-[5-[[4-[(2-amino-9,9-dimethylpurin-9-ium-6-yl)oxymethyl]phenyl]methylcarbamoyl]-1-methylpyridin-1-ium-2-yl]ethylamino]-4-oxobutyl]-1-ethyl-3-methyl-5-methylsulfonylindol-2-ylidene]penta-1,3-dienyl]-1-ethyl-3,3-dimethylindol-1-ium-5-sulfonate
• 英文别名: methyl 2-[5-[3-[4-[2-[5-[[4-[(2-amino-9,9-dimethylpurin-9-ium-6-yl)oxymethyl]phenyl]methylcarbamoyl]-1-methylpyridin-1-ium-2-yl]ethylamino]-4-oxobutyl]-1-ethyl-3-methyl-5-methylsulfonylindol-2-ylidene]penta-1,3-dienyl]-1-ethyl-3,3-dimethylindol-1-ium-5-sulfonate
• 化学式: C58H71N10O8S2+3
• 分子量: 1100.4
• InChiKey: YSWJJCLAEYRBIL-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  78
• 可旋转键数：
  21
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  236
• 氢给体数：
  3
• 氢受体数：
  13