ethyl icosa-5,8,11,14,17-pentaenoate

• ChemBase编号: 127328
• 分子式: C22H34O2
• 平均质量: 330.50416
• 单一同位素质量: 330.25588033
• SMILES: CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCC
• Canonical SMILES: CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCC
• InChI: InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3
• InChIKey: SSQPWTVBQMWLSZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl icosa-5,8,11,14,17-pentaenoate
• IUPAC传统名: ethyl eicosapentaenoic acid
• 别名: Eicosapentaenoic acid ethyl ester; Ethyl eicosapentaenoate; Icosapent; Ethyl icosapentate; EPA ethyl ester; Icosapent ethyl; Ethyl eicosapentaenoic acid

登记号

• CAS号: 86227-47-6
• PubChem SID: 162221649
• PubChem CID: 5353613; 9831415
• 维基百科标题: Ethyl_eicosapentaenoic_acid

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.727951
• LogD (pH = 7.4): 6.727951
• Log P: 6.727951
• 摩尔折射率: 110.5883 cm^3
• 极化性: 40.872074 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false