dipotassium hydrogen (2H)phosphate

• ChemBase ID: 147167
• Molecular Formular: HK2O4P
• Molecular Mass: 174.175901
• Monoisotopic Mass: 173.8886585
• SMILES: OP(=O)([O-])[O-].[K+].[K+]
• Canonical SMILES: [O-]P(=O)(O)[O-].[K+].[K+]
• InChI: InChI=1S/2K.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2
• InChIKey: ZPWVASYFFYYZEW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium hydrogen (^2H)phosphate
• IUPAC Traditional name: dipotassium hydrogen (^2H)phosphate
• Synonyms: Dipotassium deuterium phosphate; 磷酸氘二钾

Database IDs

• CAS Number: 22387-03-7
• MDL Number: MFCD00075191
• PubChem SID: 162241358; 24860814
• PubChem CID: 22812717

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 12.4085 cm^3
• Polarizability: 5.88 Å^3
• Polar Surface Area: 83.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+1

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 175.18 by atom % calculation
• Linear Formula: K2DPO4

DETAILS

Sigma Aldrich - 340448

Packaging
10 g in glass bottle