potassium disodium dihydrogen phosphate hydrogen phosphate

• ChemBase ID: 158040
• Molecular Formular: H3KNa2O8P2
• Molecular Mass: 278.044382
• Monoisotopic Mass: 277.87356056
• SMILES: OP(=O)(O)[O-].OP(=O)([O-])[O-].[Na+].[Na+].[K+]
• Canonical SMILES: [O-]P(=O)(O)[O-].[O-]P(=O)(O)O.[Na+].[Na+].[K+]
• InChI: InChI=1S/K.2Na.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+1;;/p-3
• InChIKey: BUCIWTBCUUHRHZ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium disodium dihydrogen phosphate hydrogen phosphate
• IUPAC Traditional name: potassium disodium dihydrogen phosphate hydrogen phosphate
• Synonyms: Buffer solution from disodium hydrogen phosphate/potassium dihydrogen phosphate; di-Sodium hydrogen phosphate/potassium dihydrogen phosphate solution; Sodium phosphate dibasic - potassium phosphate monobasic solution; 磷酸氢二钠/磷酸二氢钾 溶液; 磷酸氢二钠/磷酸二氢钾缓冲液; 磷酸氢二钠-磷酸一钾 溶液

Database IDs

• EC Number: 231-791-2
• MDL Number: MFCD00144161
• PubChem SID: 162252176
• PubChem CID: 71312623

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 13.5302 cm^3
• Polarizability: 5.806723 Å^3
• Polar Surface Area: 80.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Absorption Wavelength: λ: 220 nm Amax: 0.1; λ: 230 nm Amax: 0.06; λ: 250 nm Amax: 0.04; λ: 300 nm Amax: 0.03; λ: 500 nm Amax: 0.03

Safety Information

• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Grade: for HPLC; puriss. p.a.
• Suitability: corresponds to standard for filter test; corresponds to standard for RP gradient test
• Quality: ampule
• λ: in concentrate

DETAILS

Sigma Aldrich - 71653

Packaging
concentrate (~0.33 M each) in ampules for 6x1 l 0.005 M ready-to-use solution (each component)
Reconstitution
recommendation for use in ion pair chromatography