CAS: 90906-40-4; (5E,7Z,10Z,13Z,16Z,19Z)-4-Hydroxydocosa-5,7,10,13,16,19-Hexaenoic Acid

• 英文名称(5E,7Z,10Z,13Z,16Z,19Z)-4-Hydroxydocosa-5,7,10,13,16,19-Hexaenoic Acid
• 中文名称(5E,7Z,10Z,13Z,16Z,19Z)-4-羟基-5,7,10,13,16,19-二十二碳六烯酸
• IUPAC名称(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid
• 其它别名5,7,10,13,16,19-D°Cosahexaenoicacid, 4-hydroxy-, (E,Z,Z,Z,Z,Z)-; (5E,7Z,10Z,13Z,16Z,19Z)-4-Hydroxy-5,7,10,13,16,19-d°Cosahexaenoicacid
• CAS编号90906-40-4
• MFCD编号:MFCD02262235
• 分子式:C22H32O3分子量:344.49
• 产品CID: 1942978

• 相似结构搜索
• InChIKey: IFRKCNPQVIJFAQ-JGDWKEERNA-N
• InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,1
• 计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数14.0

物理性质

• 沸点502.3±50.0 °C(预测)
• 密度0.995±0.06 g/cm3(预测)
• pKa:4.57±0.10(预测)
• PSA:57.53
• LogP:5.5197
• 溶解性0.1 M Na2Co3: 2 mg/mL; DMF: Miscible; DMSO: Miscible; Ethanol: Miscible; Pbs (Ph 7.2): 0.8 mg/mL
• 外观形态无色至淡黄色液体
• 储存条件储存在 -20°C
• 产品应用该化合物是PPAR-GATA,抗糖尿病剂和抗炎剂.

MSDS等安全信息

• GHS符号GHS02
• 警示词Danger
• 危险描述H302-H315-H319-H335-
• 防范说明P261-P264-P270-P271-P280-P301+P312-P302+P352-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501-

上下游产品

合成工艺路线路线简述

• 825632-99-3 = 90906-40-4
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol; Rt; 1 H,80 °C
  标题:Synthesis Of Long Chain N-3 And N-6 Fatty Acids Having A Photoactive Conjugated Tetraene Group
  作者:Kuklev,Dmitry V.; Smith,William L.
  参考文献:Chemistry And Physics Of Lipids 日期:2004 卷标:130(2) 页码:145-158]
  
  825632-99-3 = 90906-40-4
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol,Water; 5 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized,Rt
  标题:Synthesis Of Docosahexaenoic Acid Derivatives Designed As Novel Pparγ Agonists And Antidiabetic Agents
  作者:Itoh,Toshimasa; Murota,Itsuki; Yoshikai,Kazuyoshi; Yamada,Sachiko; Yamamoto,Keiko
  参考文献:Bioorganic & Medicinal Chemistry 日期:2006 卷标:14(1) 页码:98-108]
  
  825632-99-3 = 90906-40-4
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Water
  标题:Identification Of Putative Metabolites Of Docosahexaenoic Acid As Potent Pparγ Agonists And Antidiabetic Agents
  作者:Yamamoto,Keiko; Itoh,Toshimasa; Abe,Daijiro; Shimizu,Masato; Kanda,Tomoatsu; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2005 卷标:15(3) 页码:517-522

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2901241000-1,3-丁二烯
  2905122000-异丙醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管