(2H5)ethyl hexadecanoate

• ChemBase编号: 168632
• 分子式: C18H36O2
• 平均质量: 284.47724
• 单一同位素质量: 284.27153039
• SMILES: C(=O)(CCCCCCCCCCCCCCC)OCC
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC
• InChI: InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
• InChIKey: XIRNKXNNONJFQO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (^2H₅)ethyl hexadecanoate
• IUPAC传统名: (^2H₅)ethyl hexadecanoate
• 别名: Hexadecanoic Acid Ethyl Ester-d5; Palmitic Acid Ethyl Ester-d5; Ethyl Hexadecanoate-d5; NSC 8918-d5; Ethyl Palmitate-d5

登记号

• PubChem SID: 162262764
• PubChem CID: 71316621

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.759285
• LogD (pH = 7.4): 6.759285
• Log P: 6.759285
• 摩尔折射率: 86.6013 cm^3
• 极化性: 34.66299 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: White Low Melting Solid

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - E925482

A labelled fatty acid found in Amaranth oil; it shows inhibitory activity.

参考文献

• Fidler, N., et al.: J. Lipid Res., 41, 1376 (2000)
• Yang, T., et al.: Food Chem., 80, 473 (2000)
• Gamel, T., et al.: J. Food Lipids, 14, 323 (2000)