dipotassium bis(quinolin-8-ol) sulfate

• ChemBase ID: 110105
• Molecular Formular: C18H14K2N2O6S
• Molecular Mass: 464.57516
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium bis(quinolin-8-ol) sulfate
• IUPAC Traditional name: dipotassium ion bis(8 hydroxyquinoline) sulfate
• Synonyms: 8-HYDROXYQUINOLINE POTASSIUM SULFATE

Database IDs

• PubChem SID: 162106332
• PubChem CID: 25021784

CALCULATED PROPERTIES

• Acid pKa: 9.3576975
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8162123
• LogD (pH = 7.4): 1.8223643
• Log P: 1.8273351
• Molar Refractivity: 41.9602 cm^3
• Polarizability: 17.599808 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05213769

MP Biomedicals Rare Chemical collection