(2-{[2-(acetyloxy)-3-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium

• ChemBase编号: 134031
• 分子式: C28H56NO8P
• 平均质量: 565.719901
• 单一同位素质量: 565.37435439
• SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-]
• InChI: InChI=1S/C28H56NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(31)34-24-27(37-26(2)30)25-36-38(32,33)35-23-22-29(3,4)5/h27H,6-25H2,1-5H3
• InChIKey: ILLILTKBYHPOIA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-{[2-(acetyloxy)-3-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
• IUPAC传统名: (2-{[2-(acetyloxy)-3-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
• 别名: 1-O-Octadecyl-2-acetyl-sn-glycero-3-phosphocholine; PAF(C18); β-Acetyl-γ-O-octadecyl-L-α-phosphatidylcholine

登记号

• CAS号: 79549-26-1
• MDL号: MFCD00063528
• PubChem SID: 24898776; 162228308
• PubChem CID: 24778839

理论计算性质

• Acid pKa: 1.8550572
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.546509
• LogD (pH = 7.4): 4.546605
• Log P: 2.5230052
• 摩尔折射率: 160.6272 cm^3
• 极化性: 60.336746 Å^3
• 极化表面积: 111.19 Å^2
• 可自由旋转的化学键: 28
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: aqueous base: decomposes; chloroform: soluble10 mg/mL

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%

详细说明

Sigma Aldrich - P6537

Biochem/physiol Actions
18-carbon analog of platelet activating factor (PAF); ligand for G protein-coupled PAF receptor. It is less potent than PAF C-16 for inducing platelet aggregation, hypotension, bronchosconstriction and chemotaxis, but more potent than PAF C-16 for inducing human neutrophil lysosomal secretion.