dineodymium(3+) ion dipraseodymium(3+) ion hexacarbonate

• ChemBase ID: 108880
• Molecular Formular: C6Nd2O18Pr2
• Molecular Mass: 930.3487
• Monoisotopic Mass: 925.53921316
• SMILES: [Pr+3].[Pr+3].[Nd+3].[Nd+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-]
• Canonical SMILES: [O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[Pr+3].[Pr+3].[Nd+3].[Nd+3]
• InChI: InChI=1S/6CH2O3.2Nd.2Pr/c6*2-1(3)4;;;;/h6*(H2,2,3,4);;;;/q;;;;;;4*+3/p-12
• InChIKey: IJSJWQMRIKFYLC-UHFFFAOYSA-B

NAMES AND DATABASE IDS

Names

• IUPAC name: dineodymium(3+) ion dipraseodymium(3+) ion hexacarbonate
• IUPAC Traditional name: dineodymium(3+) ion dipraseodymium(3+) ion hexaCO3
• Synonyms: DIDYMIUM CARBONATE

Database IDs

• PubChem SID: 162105752
• PubChem CID: 44135817

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05209076

MP Biomedicals Rare Chemical collection