2-[3-[1-[6-[4-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]hex-5-ynyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]prop-2-enylidene]-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 - 嘧啶核苷
• 英文名称: 2-[3-[1-[6-[4-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]hex-5-ynyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid
• 化学式: C40H48N5O10S2+
• 分子量: 823.0
• InChiKey: YOHZINRJHMAQKE-KIGLDFBWSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  57
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  240
• 氢给体数：
  5
• 氢受体数：
  11

文献信息

• CYANINE-TYPE COMPOUNDS HAVING AN ALKYNYL LINKER ARM
  申请人：CAPUTO Giuseppe

  公开号：US20110118438A1

  公开（公告）日：2011-05-19

  Cyanine-type fluorescent dyes modified with an alkynyl linker arm of formula (I), suitable for the conjugation of biomolecules, such as for example nucleosides, nucleotides, oligonucleotides, nucleic acids, proteins, peptides, vitamins and hormones. A method and intermediates for the synthesis of the alkynyl cyanines of the invention are also described, as well as alkynyl cyanine-biomolecule conjugates and methods for preparing thereof. The alkynyl cyanines can be advantageously used as markers for biomolecules or as quenchers.
• US7892297B2
  申请人：——

  公开号：US7892297B2

  公开（公告）日：2011-02-22