trimanganese(2+) ion diphosphate

• ChemBase ID: 128203
• Molecular Formular: Mn3O8P2
• Molecular Mass: 354.756869
• Monoisotopic Mass: 354.72097552
• SMILES: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Mn+2].[Mn+2].[Mn+2]
• Canonical SMILES: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Mn+2].[Mn+2].[Mn+2]
• InChI: InChI=1S/3Mn.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6
• InChIKey: ZKCBQOQPFCSEFF-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: trimanganese(2+) ion diphosphate
• IUPAC Traditional name: trimanganese(2+) ion diphosphate
• Synonyms: Manganese diphosphate; Manganese phosphate tribasic; Manganese(II) phosphate

Database IDs

• CAS Number: 51349-94-1
• PubChem SID: 162222513
• PubChem CID: 9950503
• Chemspider ID: 8126114
• Wikipedia Title: Manganese(II)_phosphate

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 11.2868 cm^3
• Polarizability: 5.564544 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true