(2-hydroxyethoxy)[2-(octadec-9-enoyloxy)-3-(octadecanoyloxy)propoxy]phosphinic acid

• ChemBase编号: 105174
• 分子式: C41H79O9P
• 平均质量: 747.034321
• 单一同位素质量: 746.54617074
• SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCO)OC(=O)CCCCCCC/C=C/CCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(OCCO)O
• InChI: InChI=1S/C41H79O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39,42H,3-17,19,21-38H2,1-2H3,(H,45,46)
• InChIKey: AMEJPUGXIIBJEX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-hydroxyethoxy)[2-(octadec-9-enoyloxy)-3-(octadecanoyloxy)propoxy]phosphinic acid
• IUPAC传统名: 2-hydroxyethoxy(2-(octadec-9-enoyloxy)-3-(octadecanoyloxy)propoxy)phosphinic acid
• 别名: 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanol; PHOSPHATIDYLETHANOL

登记号

• PubChem SID: 162105863
• PubChem CID: 71300188

理论计算性质

• Acid pKa: 1.894312
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 10.632121
• LogD (pH = 7.4): 10.607661
• Log P: 12.98374
• 摩尔折射率: 208.867 cm^3
• 极化性: 83.257286 Å^3
• 极化表面积: 128.59 Å^2
• 可自由旋转的化学键: 42
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: -20°C, Store Under Nitrogen

产品相关信息

• 纯度: 98%

详细说明

MP Biomedicals - 02158983

Purity: 98%
Used as a chromatographic standard to assay PLD activity in intact cells via the conversion of phosphatidylcholine to phosphatidylethanol by phospholipase D in the presence of ethanol.

参考文献

• Kobayashi, M. and Kanfer, J.N., J. Neurochem. , 48 : 1597 (1987).
• Gustavsson, L. and Alling, C., Biochem. Biophys. Res. Commun. , 142 : 958 (1987).
• Liscovitch, M., Biol. Chem. , 264 : 1450 (1989).
• Pai, J.-K., et al., ibid. , 263 : 12472 (1988).