2,3-dihydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate

• ChemBase编号: 133532
• 分子式: C21H38O4
• 平均质量: 354.52402
• 单一同位素质量: 354.2770097
• SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(CO)O
• Canonical SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(CO)O
• InChI: InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-
• InChIKey: WECGLUPZRHILCT-HZJYTTRNSA-N

名称和登记号

名称

• IUPAC标准名: 2,3-dihydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate
• IUPAC传统名: 2,3-dihydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate
• 别名: 1-([cis,cis]-9,12-octadecadienoyl)-rac-glycerol; 1-Monolinolein; 1-Linoleoyl-rac-glycerol; (9Z,12Z)-9,12-Octadecadienoic Acid 2,3-Dihydroxypropyl Ester; 1-Glyceryl Linoleate; 1-Linoleylglycerol; 1-Monolinoleoyl-rac-glycerol; Glycerol 1-Monolinolate; Oleinate 288; α-Glyceryl linoleate; α-Monolinolein; 1-Linoleoyl-rac-glycerol

登记号

• CAS号: 2277-28-3
• EC号: 218-901-4
• MDL号: MFCD00270409
• PubChem SID: 162227809; 24897173
• PubChem CID: 5283469

理论计算性质

• Acid pKa: 13.619246
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 5.247334
• LogD (pH = 7.4): 5.2473335
• Log P: 5.247334
• 摩尔折射率: 105.5427 cm^3
• 极化性: 40.927094 Å^3
• 极化表面积: 66.76 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; DMF; DMSO; Ethyl Acetate; Methanol,
• 外观: Colourless Oil; liquid

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere
• 德国WGK号: 1
• 个人保护装置: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• 保存温度: -20°C

产品相关信息

• 纯度: ≥97%
• 运输包装: dry ice

详细说明

Sigma Aldrich - M7640

Caution
Some decomposition may occur on storage or in solution.
包装
Sealed ampule.

Toronto Research Chemicals - L467950

1-Linoleyl glyceride as free-living amoeba control agent; also a biomarker of metabolic responses to hepatotoxicants and carcinogens.

参考文献

• Isidorov, V., et al.: Anal. Sci., 21, 1483 (2005)
• Isidorov, V., et al.: Food Chem., 115, 1056 (2005)