disodium hexafluoropentanedioate

• ChemBase编号: 111252
• 分子式: C5F6Na2O4
• 平均质量: 284.0210592
• 单一同位素质量: 283.94961636
• SMILES: [Na+].[Na+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(C(C(C(=O)[O-])(F)F)(F)F)(F)F.[Na+].[Na+]
• InChI: InChI=1S/C5H2F6O4.2Na/c6-3(7,1(12)13)5(10,11)4(8,9)2(14)15;;/h(H,12,13)(H,14,15);;/q;2*+1/p-2
• InChIKey: FPFJTBQQZWBMAZ-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium hexafluoropentanedioate
• IUPAC传统名: dipotassium hexafluoropentanedioate
• 别名: SODIUM HEXAFLUOROGLUTARATE

登记号

• PubChem SID: 162106479
• PubChem CID: 13327511

理论计算性质

• Acid pKa: 1.3780652
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -4.8069177
• LogD (pH = 7.4): -5.2138515
• Log P: 1.8381766
• 摩尔折射率: 50.1168 cm^3
• 极化性: 11.226616 Å^3
• 极化表面积: 80.26 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05218367

MP Biomedicals Rare Chemical collection