2-[5-[1-[6-[[3'-ethoxy-6'-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(3S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methylamino]-6-oxohexyl]-3,3-dimethyl-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 2 '，5'-二脱氧核苷
• 英文名称: 2-[5-[1-[6-[[3'-ethoxy-6'-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(3S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methylamino]-6-oxohexyl]-3,3-dimethyl-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid
• 化学式: C66H74N5O27P4S2+
• 分子量: 1557.3
• InChiKey: AUTNZHWHIIORQX-VGALGPDVSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  104
• 可旋转键数：
  29
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  472
• 氢给体数：
  9
• 氢受体数：
  29

文献信息

• FLUORESCENCE RESONANCE ENERGY TRANSFER ENZYME SUBSTRATES
  申请人：Kumar Shiv

  公开号：US20090162838A1

  公开（公告）日：2009-06-25

  Disclosed are compounds of formula (I) wherein D 1 is a first dye moiety whose fluorescence properties may be modulated so as to be suitable as a donor or an acceptor in an energy transfer arrangement; D 2 is a second dye moiety suitable as an acceptor or a donor in an energy transfer arrangement with said first dye; L is a linking group comprises 2-200 linked atoms, wherein said linking group optionally includes an enzyme cleavage site; and M is an enzyme cleavable group chosen to modulate the fluorescence properties of D 1 . The compounds of formula (I) may be used as reporter molecules for detecting biochemical cleavage events in assays that employ fluorescence resonance energy transfer.