2-[(Z)-[2-hydroxy-3-(4-methoxyphenyl)-4-oxocyclobut-2-en-1-ylidene]methyl]-3,3-dimethyl-1-pentylindol-1-ium-5-sulfonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-[(Z)-[2-hydroxy-3-(4-methoxyphenyl)-4-oxocyclobut-2-en-1-ylidene]methyl]-3,3-dimethyl-1-pentylindol-1-ium-5-sulfonic acid
• 化学式: C27H30NO6S+
• 分子量: 496.6
• InChiKey: VIYJRWVEUFRDIY-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• [EN] NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES<br/>[FR] NOUVELLES MOLÉCULES DE MARQUAGE OPTIQUE EN PROTÉOMIQUE ET AUTRES ANALYSES BIOLOGIQUES
  申请人：UNIV MONTANA STATE

  公开号：WO2009005871A2

  公开（公告）日：2009-01-08

  The invention relates to compositions and methods useful in the labeling and identification of proteins and changes in protein modification. The invention provides for highly soluble optical labeling molecules which are optionally cleavable after separation of mixtures of labeled proteins into components. These optical labeling molecules find utility in a variety of applications, including use in the field of proteomics.