4-methyl-2-oxo-2H-chromen-7-yl hexadecanoate

• ChemBase编号: 131058
• 分子式: C26H38O4
• 平均质量: 414.57752
• 单一同位素质量: 414.2770097
• SMILES: CCCCCCCCCCCCCCCC(=O)Oc1ccc2c(cc(=O)oc2c1)C
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C26H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(27)29-22-17-18-23-21(2)19-26(28)30-24(23)20-22/h17-20H,3-16H2,1-2H3
• InChIKey: QKQVFFACWLFRRX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methyl-2-oxo-2H-chromen-7-yl hexadecanoate
• IUPAC传统名: 4-methyl-2-oxochromen-7-yl hexadecanoate
• 别名: Hexadecanoic Acid 4-Methyl-2-oxo-2H-1-benzopyran-7-yl Ester; 7-Hydroxy-4-methylcoumarin Palmitate; 4-Methylumbelliferone Palmitate; Palmitoyl 4-Methylumbelliferone; 4-Methylumbelliferyl Palmitate; Palmitic acid 4-methylumbelliferyl ester; 4-Methylumbelliferyl palmitate

登记号

• CAS号: 17695-48-6
• EC号: 241-695-2
• MDL号: MFCD00037612
• Beilstein号: 4884046
• PubChem SID: 24897149; 162225336; 24886951
• PubChem CID: 87248

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 8.169944
• LogD (pH = 7.4): 8.169944
• Log P: 8.169944
• 摩尔折射率: 121.4029 cm^3
• 极化性: 47.750908 Å^3
• 极化表面积: 52.6 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: 2-methoxyethanol: soluble; chloroform: soluble
• 熔点: 77 °C(lit.)
• 荧光: λex 360 nm; λem 449 nm in 0.1 M phosphate pH 8.0

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98.0% (TLC)
• 级别: for fluorescence
• Empirical Formula (Hill Notation): C26H38O4

详细说明

Sigma Aldrich - M7259

Application
Fluorogenic substrate for acid lipase in human leukocytes.1

Sigma Aldrich - 76163

Application
Fluorogenic substrate for acid lipase in human leukocytes.1
suitable as fluorogenic substrate for lipases

Toronto Research Chemicals - M333070

Fatty acyl esters of 4-methylumbelliferone for use as fluorogenic substrates to continuously follow the hydrolytic activity of carboxylesterases, such as acid and alkaline lipases.

参考文献

• Jacks, T.J., et al.: Anal. Biochem., 21, 279 (1967)
• Baillargeon, M.W., et al.: Lipids, 26, 831 (1967)