dipotassium 7-hydroxynaphthalene-1,3-disulfonate

• ChemBase ID: 798657
• Molecular Formular: C10H6K2O7S2
• Molecular Mass: 380.47704
• Monoisotopic Mass: 379.88290789
• SMILES: c1(cc2c(cc1)cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])O.[K+].[K+]
• Canonical SMILES: Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]
• InChI: InChI=1S/C10H8O7S2.2K/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
• InChIKey: LKDMVWRBMGEEGR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium 7-hydroxynaphthalene-1,3-disulfonate
• IUPAC Traditional name: dipotassium 7-hydroxynaphthalene-1,3-disulfonate
• Synonyms: dipotassium 7-hydroxyNaphthalene-1,3-disulphonate

Database IDs

• CAS Number: 842-18-2

CALCULATED PROPERTIES

• Acid pKa: -2.8664334
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -3.7318509
• LogD (pH = 7.4): -3.7339318
• Log P: 1.0209707
• Molar Refractivity: 63.4907 cm^3
• Polarizability: 27.550537 Å^3
• Polar Surface Area: 134.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%