dizinc(2+) ion (phosphonatooxy)phosphonate

• ChemBase ID: 130250
• Molecular Formular: O7P2Zn2
• Molecular Mass: 304.703322
• Monoisotopic Mass: 301.7702096
• SMILES: [Zn+2].[Zn+2].[O-]P(=O)([O-])OP(=O)([O-])[O-]
• Canonical SMILES: [O-]P(=O)(OP(=O)([O-])[O-])[O-].[Zn+2].[Zn+2]
• InChI: InChI=1S/H4O7P2.2Zn/c1-8(2,3)7-9(4,5)6;;/h(H2,1,2,3)(H2,4,5,6);;/q;2*+2/p-4
• InChIKey: OMSYGYSPFZQFFP-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: dizinc(2+) ion (phosphonatooxy)phosphonate
• IUPAC Traditional name: dizinc(2+) ion diphosphate
• Synonyms: Zinc pyrophosphate

Database IDs

• CAS Number: 7446-26-6
• PubChem SID: 162224530
• PubChem CID: 62641
• Chemspider ID: 56393
• Wikipedia Title: Zinc_pyrophosphate

CALCULATED PROPERTIES

• Acid pKa: 1.7026764
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -5.934867
• LogD (pH = 7.4): -6.883358
• Log P: -1.4419023
• Molar Refractivity: 21.038 cm^3
• Polarizability: 10.301113 Å^3
• Polar Surface Area: 135.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water; soluble in dilute acids
• Apperance: white crystalline powder
• Density: 3.75 g/cm^3