(2S)-4-carbamoyl-2-dodecanamidobutanoic acid

• ChemBase编号: 172245
• 分子式: C17H32N2O4
• 平均质量: 328.44698
• 单一同位素质量: 328.23620751
• SMILES: NC(=O)CC[C@H](NC(=O)CCCCCCCCCCC)C(=O)O
• Canonical SMILES: CCCCCCCCCCCC(=O)N[C@H](C(=O)O)CCC(=O)N
• InChI: InChI=1S/C17H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-16(21)19-14(17(22)23)12-13-15(18)20/h14H,2-13H2,1H3,(H2,18,20)(H,19,21)(H,22,23)/t14-/m0/s1
• InChIKey: USMCNVFGYLZLGM-AWEZNQCLSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-4-carbamoyl-2-dodecanamidobutanoic acid
• IUPAC传统名: (2S)-4-carbamoyl-2-dodecanamidobutanoic acid
• 别名: N2-(1-Oxododecyl)-L-glutamine; N2-Lauroyl-L-glutamine; (2S)-4-carbamoyl-2-dodecanamidobutanoic acid

登记号

• CAS号: 109570-04-9
• MDL号: MFCD00216729
• PubChem SID: 164228155
• PubChem CID: 16213882

理论计算性质

• Acid pKa: 3.93967
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 1.2141879
• LogD (pH = 7.4): -0.41096258
• Log P: 2.7816958
• 摩尔折射率: 88.5896 cm^3
• 极化性: 34.999523 Å^3
• 极化表面积: 109.49 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO
• 外观: White Solid
• 熔点: 131 - 133°C; 132-134°C
• 疏水性(logP): 3.104

安全信息

• 保存条件: Refrigerator

产品相关信息

• 纯度: 95%

详细说明

Toronto Research Chemicals - L178650

N2-Lauroyl-L-glutamine is used as a solubilizing detergent in a novel protein refolding system. N2-Lauroyl-L-glutamine can be synthesized enzymatically in glycerol-water system useing acylase I from pig kidney.

参考文献

• Kudou, M. et al.: Protein Express. Purif., 75, 46 (2011)
• Wada, E. et al.: J. Am. Oil Chem. Soc., 79, 41 (2011)