2-[3-[3-[6-[2-[[hydroxy-[[hydroxy-[[hydroxy-[[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]methyl]phosphoryl]methyl]phosphoryl]methyl]phosphoryl]amino]ethylamino]-6-oxohexyl]-3-methyl-1-(3-sulfopropyl)-5-(trioxidanylsulfanyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-sulfonic acid

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 2-[3-[3-[6-[2-[[hydroxy-[[hydroxy-[[hydroxy-[[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]methyl]phosphoryl]methyl]phosphoryl]methyl]phosphoryl]amino]ethylamino]-6-oxohexyl]-3-methyl-1-(3-sulfopropyl)-5-(trioxidanylsulfanyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-sulfonic acid
• 化学式: C49H73N6O26P4S4+
• 分子量: 1414.3
• InChiKey: COHUBLUMHPYXLS-YPSSFIJASA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  89
• 可旋转键数：
  34
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  537
• 氢给体数：
  12
• 氢受体数：
  29

文献信息

• Polymerases for nucleotide analogue incorporation
  申请人：Hanzel K. David

  公开号：US20070196846A1

  公开（公告）日：2007-08-23

  Compositions that include polymerases with features for improving entry of nucleotide analogues into active site regions and for coordinating with the nucleotide analogues in the active site region are provided. Methods of making the polymerases and of using the polymerases in sequencing and DNA replication and amplification as well as kinetic models of polymerase activity and computer-implemented methods of using the models are also provided.
• US8921086B2
  申请人：——

  公开号：US8921086B2

  公开（公告）日：2014-12-30