(9Z)-(11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-2H17)octadec-9-enoic acid

• ChemBase编号: 175837
• 分子式: C18H34O2
• 平均质量: 282.46136
• 单一同位素质量: 282.25588033
• SMILES: C(CCCCCC/C=C\CCCCCCCC)C(=O)O
• Canonical SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O
• InChI: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
• InChIKey: ZQPPMHVWECSIRJ-KTKRTIGZSA-N

名称和登记号

名称

• IUPAC标准名: (9Z)-(11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-^2H₁₇)octadec-9-enoic acid
• IUPAC传统名: (9Z)-(11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-^2H₁₇)octadec-9-enoic acid
• 别名: (9Z)-9-Octadecenoic Acid-d17; Oleic Acid-d17

登记号

• CAS号: 223487-44-3
• PubChem SID: 164231747
• PubChem CID: 21627504

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 6.155865
• LogD (pH = 7.4): 4.4022083
• Log P: 6.783798
• 摩尔折射率: 87.4022 cm^3
• 极化性: 34.16541 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false
• Acid pKa: 4.9881673

详细说明

Toronto Research Chemicals - O524202

A labelled Oleic acid which enables studies of fatty acid oxidation in vivo. Obtained by the hydrolysis of various animal and vegetable fats and oils. Oleic Acid is used as an emulsifying or solubilizing agent in aerosol products

参考文献

• Mahsut, A. et al.: Anal. Biochem., 408, 351 (2011)
• Brock, K., et al.: Br. J. Nut., 101, 1228 (2011)
• Soveral, G., et al.: Biochem. Biophys. Res. Comm., 383, 108 (2011)