1-[6-[[1-[3-[4-amino-7-[(2R,4R,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-3-[3-[[9-[(2R,4R,5R)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]purin-6-yl]carbamoyloxy]propyldisulfanyl]-1-oxopropan-2-yl]amino]-6-oxohexyl]-2-[5-[1-ethyl-3,3-dimethyl-5-(trioxidanylsulfanyl)indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-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 - 嘌呤核苷酸
• 英文名称: 1-[6-[[1-[3-[4-amino-7-[(2R,4R,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-3-[3-[[9-[(2R,4R,5R)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]purin-6-yl]carbamoyloxy]propyldisulfanyl]-1-oxopropan-2-yl]amino]-6-oxohexyl]-2-[5-[1-ethyl-3,3-dimethyl-5-(trioxidanylsulfanyl)indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonic acid
• 化学式: C64H82N13O28P4S4+
• 分子量: 1733.6
• InChiKey: VTBPBWJGIDNIFA-BAVADKPGSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  113
• 可旋转键数：
  39
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  666
• 氢给体数：
  14
• 氢受体数：
  38

文献信息

• Nucleotide analogs
  申请人：Siddiqi Suhaib

  公开号：US20080286837A1

  公开（公告）日：2008-11-20

  The disclosure provides nucleotide analogs and methods of their use. Analogs of the invention comprise a reporter molecule (label) attached via the N4, N6, O4, or O6 position of the nitrogenous base portion of the analog. In a preferred embodiment, nucleotide analogs of the invention comprise a label attached to the nitrogenous base portion of the analog via a cleavable linker at the N4, O4, N6 or O6 position.
• NUCLEOTIDE ANALOGS
  申请人：Siddiqi Suhaib

  公开号：US20100203541A1

  公开（公告）日：2010-08-12

  The disclosure provides nucleotide analogs and methods of their use. Analogs of the invention comprise a reporter molecule (label) attached via the N4, N6, O4, or O6 position of the nitrogenous base portion of the analog. In a preferred embodiment, nucleotide analogs of the invention comprise a label attached to the nitrogenous base portion of the analog via a cleavable linker at the N4, O4, N6 or O6 position.
• US7678894B2
  申请人：——

  公开号：US7678894B2

  公开（公告）日：2010-03-16
• US7956171B2
  申请人：——

  公开号：US7956171B2

  公开（公告）日：2011-06-07