27-[[6-(2,5-Dioxopyrrolidin-1-yl)oxy-6-oxohexyl]carbamoyl]-15,42,42-trimethyl-21,29-dioxo-8-(3-sulfopropyl)-8,22,28-triaza-35-azoniapentacyclo[33.7.0.07,15.09,14.036,41]dotetraconta-1(35),2,4,6,9(14),10,12,36(41),37,39-decaene-12,39-disulfonic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 27-[[6-(2,5-Dioxopyrrolidin-1-yl)oxy-6-oxohexyl]carbamoyl]-15,42,42-trimethyl-21,29-dioxo-8-(3-sulfopropyl)-8,22,28-triaza-35-azoniapentacyclo[33.7.0.07,15.09,14.036,41]dotetraconta-1(35),2,4,6,9(14),10,12,36(41),37,39-decaene-12,39-disulfonic acid
• 英文别名: 27-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]carbamoyl]-15,42,42-trimethyl-21,29-dioxo-8-(3-sulfopropyl)-8,22,28-triaza-35-azoniapentacyclo[33.7.0.07,15.09,14.036,41]dotetraconta-1(35),2,4,6,9(14),10,12,36(41),37,39-decaene-12,39-disulfonic acid
• 化学式: C55H75N6O16S3+
• 分子量: 1172.4
• InChiKey: SXECAQOLVGEZBL-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  80
• 可旋转键数：
  15
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  346
• 氢给体数：
  6
• 氢受体数：
  17

文献信息

• Reactive 1,3'-crosslinked carbocyanines and their bioconjugates
  申请人：Diwu Zhenjun

  公开号：US20090258418A1

  公开（公告）日：2009-10-15

  Chemically reactive carbocyanine dyes that are intramolecularly crosslinked between the 1-position and 3′-position, their bioconjugates and their uses are described. 1,3′-crosslinked carbocyanines are superior to those of conjugates of spectrally similar 1,1′-crosslinked or non-crosslinked dyes. The invention includes derivative compounds having one or more benzo nitrogens.
• Conjugates of biological substances
  申请人：Diwu Zhenjun

  公开号：US20110003362A1

  公开（公告）日：2011-01-06

  Chemically reactive carbocyanine dyes that are intramolecularly crosslinked between the 1-position and 3′-position, their bioconjugates and their uses are described. 1,3′-crosslinked carbocyanines are superior to those of conjugates of spectrally similar 1,1′-crosslinked or non-crosslinked dyes. The invention includes derivative compounds having one or more benzo nitrogens.
• LUMINESCENT DYES WITH A WATER-SOLUBLE INTRAMOLECULAR BRIDGE AND THEIR BIOLOGICAL CONJUGATES
  申请人：Diwu Zhenjun

  公开号：US20120183954A1

  公开（公告）日：2012-07-19

  Chemically reactive dyes that are intramolecularly crosslinked with a water-soluble bridge, their bioconjugates and their uses are described. Reactive fluorescent dyes that have a water-soluble bridge are superior to those of conjugates of spectrally non-crosslinked dyes or the dyes that are crosslinked with a hydrophobic bridge. The invention includes reactive fluorescent dyes, their biological conjugates and uses.
• US7465810B2
  申请人：——

  公开号：US7465810B2

  公开（公告）日：2008-12-16
• US7790394B2
  申请人：——

  公开号：US7790394B2

  公开（公告）日：2010-09-07