oxiran-2-ylmethyl hexadecanoate

• ChemBase编号: 169752
• 分子式: C19H36O3
• 平均质量: 312.48734
• 单一同位素质量: 312.26644501
• SMILES: C(C(=O)OCC1OC1)CCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC1CO1
• InChI: InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(20)22-17-18-16-21-18/h18H,2-17H2,1H3
• InChIKey: KYVUJPJYTYQNGJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: oxiran-2-ylmethyl hexadecanoate
• IUPAC传统名: oxiran-2-ylmethyl hexadecanoate
• 别名: Hexadecanoic Acid 2-Oxiranylmethyl Ester; Palmitic Acid 2,3-Epoxypropyl Ester; (+/-)-Glycidyl Palmitate; Glycidyl Hexadecanoate; NSC 406558; Palmitic Acid Glycidyl Ester; Glycidyl Palmitate

登记号

• CAS号: 7501-44-2
• PubChem SID: 162263884
• PubChem CID: 347736

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.2437434
• LogD (pH = 7.4): 6.2437434
• Log P: 6.2437434
• 摩尔折射率: 90.5974 cm^3
• 极化性: 36.45132 Å^3
• 极化表面积: 38.83 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: White Solid
• 熔点: 41-42°C

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - G615950

Used for preparation of lysophosphatidic acids which inhibit apoptosis.

参考文献

• Mills, G.B., et al.: Nat. Rev. Cancer., 3, 582 (2003)
• Zhang, C., et al.: J. Exp. Med., 199, 763 (2003)
• Lee, C.W., J. Biol. Chem., 281 (2003)