4-[5-[[8,15-dioxo-12-sulfo-16-(3-sulfobenzoyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-10-yl]amino]-2,4-disulfophenyl]sulfonylbutanoic acid | 1404048-93-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[5-[[8,15-dioxo-12-sulfo-16-(3-sulfobenzoyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-10-yl]amino]-2,4-disulfophenyl]sulfonylbutanoic acid
• CAS: 1404048-93-6
• 化学式: C₃₃H₂₄N₂O₁₉S₅
• 分子量: 912.886
• InChiKey: FNIFNMCKPQMVJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  59
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  406
• 氢给体数：
  7
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  在 12% fuming sulfuric acid 作用下， 以25 g的产率得到4-[5-[[8,15-dioxo-12-sulfo-16-(3-sulfobenzoyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-10-yl]amino]-2,4-disulfophenyl]sulfonylbutanoic acid
  参考文献：
  名称：

  EP2682433

  摘要：

  公开号：

文献信息

• CARBONYLPROPYLSULFONYL ANTHRACENE PYRIDONE SULFONIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF
  申请人：Dalian University Of Technology

  公开号：EP2682433B1

  公开（公告）日：2015-06-03
• CARBONYL PROPYL SULFURYL ANTHRAPYRIDONE SULFONIC ACID COMPOUNDS AND THEIR PREPARATION METHODS AND APPLICATIONS
  申请人：ZHUHAI NINESTAR MANAGEMENT CO., LTD.

  公开号：US20130276667A1

  公开（公告）日：2013-10-24

  The present invention relates to compounds shown in the general formula (I) or (III), the salts thereof or their mixtures, as well as their preparation method and application. In the general formula (I), X 1 is H or CO 2 H; X 2 is OH or phenyl group with 0-2 sulfonic acid substituents, and the sulfonic acid substituents are located at random positions of a benzene ring; when X 2 is OH, X 1 is H; when X 2 is phenyl group with 0-2 sulfonic acid substituents, X 1 is H or CO 2 H; n is an integer of 0-2; and in the general formula (III), n and m are respectively an integer of 0-2. The compounds and the mixtures not only have improved light resistance, ozone resistance and water resistance, but also have excellent water solubility and long-term stability in ink-jet ink.
• US8734580B2
  申请人：——

  公开号：US8734580B2

  公开（公告）日：2014-05-27