(6-{[2-(acetyloxy)-3-(hexadecyloxy)propyl phosphonato]oxy}hexyl)trimethylazanium

• ChemBase编号: 105227
• 分子式: C30H62NO7P
• 平均质量: 579.789541
• 单一同位素质量: 579.42638996
• SMILES: CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCCCC[N+](C)(C)C)OC(=O)C
• Canonical SMILES: CCCCCCCCCCCCCCCCOCC(OC(=O)C)COP(=O)(OCCCCCC[N+](C)(C)C)[O-]
• InChI: InChI=1S/C30H62NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-35-27-30(38-29(2)32)28-37-39(33,34)36-26-23-20-18-21-24-31(3,4)5/h30H,6-28H2,1-5H3
• InChIKey: IJAODKNFSHBTDQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (6-{[2-(acetyloxy)-3-(hexadecyloxy)propyl phosphonato]oxy}hexyl)trimethylazanium
• IUPAC传统名: (6-{[2-(acetyloxy)-3-(hexadecyloxy)propyl phosphonato]oxy}hexyl)trimethylazanium
• 别名: 1-O-HEXADECYL-2-O-ACETYL-sn-GLYCERO-3-PHOSPHO-(N,N,N-TRIMETHYL)HEXANOLAMINE

登记号

• CAS号: 99103-16-9
• PubChem SID: 162092294
• PubChem CID: 24906293

理论计算性质

• Acid pKa: 1.9157491
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.5046124
• LogD (pH = 7.4): 5.504723
• Log P: 3.4811232
• 摩尔折射率: 170.3826 cm^3
• 极化性: 63.910275 Å^3
• 极化表面积: 94.12 Å^2
• 可自由旋转的化学键: 30
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: -20°C

产品相关信息

• 纯度: 98%

详细说明

MP Biomedicals - 02159119

Purity: 98%
Blocks platelet aggregation, secretion, and the production of IP₃ induced by platelet activating factor (PAF). PAF antagonist.

参考文献

• Tokumura, A., et al., J. Biol. Chem. , 260 : 12710, (1985).
• Rouis, M., et al., Biochem. Biophys. Res. Commun. , 20 : (suppl. II), 20, (1988).
• Buxton, D.B., et al., Biochem. Pharmacol. , 35 : 893, (1986).