dipotassium bis(quinolin-8-ol) sulfate

• ChemBase编号: 110105
• 分子式: C18H14K2N2O6S
• 平均质量: 464.57516
• 单一同位素质量: 463.98467054
• SMILES: [K+].[K+].[O-]S(=O)(=O)[O-].Oc1cccc2c1nccc2.Oc1cccc2c1nccc2
• Canonical SMILES: [O-]S(=O)(=O)[O-].Oc1cccc2c1nccc2.Oc1cccc2c1nccc2.[K+].[K+]
• InChI: InChI=1S/2C9H7NO.2K.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;;;1-5(2,3)4/h2*1-6,11H;;;(H2,1,2,3,4)/q;;2*+1;/p-2
• InChIKey: XVIHSKRVVDVZNO-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: dipotassium bis(quinolin-8-ol) sulfate
• IUPAC传统名: dipotassium ion bis(8 hydroxyquinoline) sulfate
• 别名: 8-HYDROXYQUINOLINE POTASSIUM SULFATE

登记号

• PubChem SID: 162106332
• PubChem CID: 25021784

理论计算性质

• Acid pKa: 9.3576975
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.8162123
• LogD (pH = 7.4): 1.8223643
• Log P: 1.8273351
• 摩尔折射率: 41.9602 cm^3
• 极化性: 17.599808 Å^3
• 极化表面积: 33.12 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05213769

MP Biomedicals Rare Chemical collection