dimagnesium(2+) ion (phosphonatooxy)phosphonate

• ChemBase ID: 303342
• Molecular Formular: Mg2O7P2
• Molecular Mass: 222.553322
• Monoisotopic Mass: 221.882009
• SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-].[Mg+2].[Mg+2]
• Canonical SMILES: [O-]P(=O)(OP(=O)([O-])[O-])[O-].[Mg+2].[Mg+2]
• InChI: InChI=1S/2Mg.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4
• InChIKey: XZTWHWHGBBCSMX-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: dimagnesium(2+) ion (phosphonatooxy)phosphonate
• IUPAC Traditional name: dimagnesium(2+) ion diphosphate
• Synonyms: Magnesium phosphate (pyro); Magnesium pyrophosphate; 焦磷酸镁

Database IDs

• CAS Number: 13446-24-7
• EC Number: 236-595-0
• MDL Number: MFCD00049482
• Merck Index: 145684

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

• Apperance: Powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 37/38
• Safety Statements: 26-39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H335
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A