11-hydroxytetradecanoic acid

• ChemBase编号: 170947
• 分子式: C14H28O3
• 平均质量: 244.37032
• 单一同位素质量: 244.20384476
• SMILES: C(CC(CCCCCCCCCC(=O)O)O)C
• Canonical SMILES: CCCC(CCCCCCCCCC(=O)O)O
• InChI: InChI=1S/C14H28O3/c1-2-10-13(15)11-8-6-4-3-5-7-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
• InChIKey: DMCZWEUMVOFXBT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 11-hydroxytetradecanoic acid
• IUPAC传统名: 11-hydroxytetradecanoic acid
• 别名: 11-Hydroxytetradecanoic Acid; 11-Hydroxy Myristic Acid

登记号

• CAS号: 2034-56-2
• PubChem SID: 164226857
• PubChem CID: 150961

理论计算性质

• Acid pKa: 4.9520197
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 3.3249214
• LogD (pH = 7.4): 1.5657864
• Log P: 3.980727
• 摩尔折射率: 69.5511 cm^3
• 极化性: 27.644499 Å^3
• 极化表面积: 57.53 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - H948495

A possible fatty acyl pheromone precursors in Spodoptera littoralis.

参考文献

• Dunkelblum, E., et al.: Insect Biochem., 17, 877 (1987)
• Martinez, T., et al.: J. Biol. Chem., 265, 1381 (1987)
• Templier, J., et al.: Phytochemistry, 30, 175 (1987)