2-[[3-[[3-[4-(2,5-Dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-1-methyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]methylidene]-2-hydroxy-4-oxocyclobuten-1-yl]methylidene]-3-ethyl-1-methyl-1-(3-sulfopropyl)benzo[e]indole-6,8-disulfonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[[3-[[3-[4-(2,5-Dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-1-methyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]methylidene]-2-hydroxy-4-oxocyclobuten-1-yl]methylidene]-3-ethyl-1-methyl-1-(3-sulfopropyl)benzo[e]indole-6,8-disulfonic acid
• 英文别名: 2-[[3-[[3-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-1-methyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]methylidene]-2-hydroxy-4-oxocyclobuten-1-yl]methylidene]-3-ethyl-1-methyl-1-(3-sulfopropyl)benzo[e]indole-6,8-disulfonic acid
• 化学式: C54H62N3O25S5+
• 分子量: 1313.4
• InChiKey: PJKWEVKASQAYKN-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  87
• 可旋转键数：
  29
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  458
• 氢给体数：
  6
• 氢受体数：
  26

文献信息

• BENZOCYANINE COMPOUNDS
  申请人：Hermanson Greg

  公开号：US20130230465A1

  公开（公告）日：2013-09-05

  Compounds useful as labels with properties comparable to known fluorescent compounds. The compounds are conjugated to proteins and nucleic acids for biological imaging and analysis. Synthesis of the compounds, formation and use of the conjugated compounds, and specific non-limiting examples of each are provided.
• US9751868B2
  申请人：——

  公开号：US9751868B2

  公开（公告）日：2017-09-05