tribarium(2+) ion diphosphate

• ChemBase ID: 109661
• Molecular Formular: Ba3O8P2
• Molecular Mass: 601.923722
• Monoisotopic Mass: 603.62258122
• SMILES: [Ba+2].[Ba+2].[Ba+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]
• Canonical SMILES: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ba+2].[Ba+2].[Ba+2]
• InChI: InChI=1S/3Ba.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6
• InChIKey: WAKZZMMCDILMEF-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: tribarium(2+) ion diphosphate
• IUPAC Traditional name: tribarium(2+) diphosphate
• Synonyms: BARIUM PHOSPHATE

Database IDs

• CAS Number: 13517-08-3
• PubChem SID: 162090478
• PubChem CID: 165803

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: false

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:20/22
• Safety Statements: S:28

DETAILS

MP Biomedicals - 05212084

MP Biomedicals Rare Chemical collection