ethyl 3-[(diethoxyphosphoryl)oxy]-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoate

• ChemBase编号: 167271
• 分子式: C25H43O6P
• 平均质量: 470.579081
• 单一同位素质量: 470.27972573
• SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C(=O)OCC)/OP(=O)(OCC)OCC)/C)/C)C
• Canonical SMILES: CCOC(=O)/C=C(\OP(=O)(OCC)OCC)/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
• InChI: InChI=1S/C25H43O6P/c1-8-28-25(26)20-24(31-32(27,29-9-2)30-10-3)19-13-18-23(7)17-12-16-22(6)15-11-14-21(4)5/h14,16,18,20H,8-13,15,17,19H2,1-7H3
• InChIKey: NUGFSECZJBXADK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 3-[(diethoxyphosphoryl)oxy]-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoate
• IUPAC传统名: ethyl 3-[(diethoxyphosphoryl)oxy]-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoate
• 别名: 3-[(Diethoxyphosphinyl)oxy]-7,11,15-trimethyl-2,6,10,14-hexadecatetraenoic Acid Ethyl Ester; 3-Diethoxyphosphoryloxy-7,11,15-trimethyl-hexadecatetra-2,6,10,14-enoic Acid, Ethyl Ester, (Mixture of Isomers)

登记号

• CAS号: 887354-51-0
• PubChem SID: 162261404
• PubChem CID: 29978279

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.623678
• LogD (pH = 7.4): 6.623678
• Log P: 6.623678
• 摩尔折射率: 135.2714 cm^3
• 极化性: 51.93004 Å^3
• 极化表面积: 71.06 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ethyl Acetate; Hexane
• 外观: Yellow Oil

详细说明

Toronto Research Chemicals - D442050

A intermediate in the lipidation of proteins, which plays a great importance for a variety of biological processes such as cell signalling.