potassium dihydrogen (2H2)phosphate

• ChemBase ID: 145107
• Molecular Formular: H2KO4P
• Molecular Mass: 136.085541
• Monoisotopic Mass: 135.93277685
• SMILES: OP(=O)([O-])O.[K+]
• Canonical SMILES: [O-]P(=O)(O)O.[K+]
• InChI: InChI=1S/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1
• InChIKey: GNSKLFRGEWLPPA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium dihydrogen (^2H₂)phosphate
• IUPAC Traditional name: potassium dihydrogen (^2H₂)phosphate
• Synonyms: Potassium dideuterium phosphate; 磷酸二氘钾

Database IDs

• CAS Number: 13761-79-0
• EC Number: 237-357-9
• MDL Number: MFCD00074894
• PubChem SID: 24859823; 162239317
• PubChem CID: 23673711

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: 6.198677 Å^3
• Polar Surface Area: 80.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 253 °C(lit.)
• Mass Shift: M+2

Safety Information

• German water hazard class: 3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 138.06 by atom % calculation
• Linear Formula: KD2PO4

DETAILS

Sigma Aldrich - 329916

Packaging
1 g in glass bottle