2,3,4,5-Tetrachloro-6-[6,20-diethyl-7,7,19,19-tetramethyl-9,17-bis(sulfomethyl)-2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,17,21-nonaen-13-yl]benzoic acid | 823803-74-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2,3,4,5-Tetrachloro-6-[6,20-diethyl-7,7,19,19-tetramethyl-9,17-bis(sulfomethyl)-2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,17,21-nonaen-13-yl]benzoic acid
• CAS: 823803-74-3
• 化学式: C₃₆H₃₅Cl₄N₂O₉S₂
• 分子量: 845.626
• InChiKey: XKALNEKIHJIZOV-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  53
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  178
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• SULFONAMIDE DERIVATIVES OF POLYCYCLIC DYES USED FOR ANALYTICAL APPLICATIONS
  申请人：Zilles Alexander

  公开号：US20110190486A1

  公开（公告）日：2011-08-04

  The invention concerns the production of quinoline compounds containing sulfonic acid groups, the said quinoline compounds and their conversion into dyes containing sulfonic acid groups. The dyes according to the invention are used especially to label analytes, for example to label biomolecules.