digadolinium(3+) ion tricarbonate

• ChemBase ID: 107426
• Molecular Formular: C3Gd2O9
• Molecular Mass: 494.5267
• Monoisotopic Mass: 495.80243758
• SMILES: [Gd+3].[Gd+3].[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-].[Gd+3].[Gd+3]
• InChI: InChI=1S/3CH2O3.2Gd/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6
• InChIKey: RQXZRSYWGRRGCD-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: digadolinium(3+) ion tricarbonate
• IUPAC Traditional name: digadolinium(3+) triCO3; digadolinium(3+) ion tricarbonate
• Synonyms: GADOLINIUM CARBONATE; Gadolinium(III) carbonate hydrate, REacton®; Gadolinium(III) carbonate hydrate; 碳酸钆(III)水合物, REacton®; 水合碳酸钆(III)

Database IDs

• CAS Number: 5895-49-8; 38245-36-2
• EC Number: 227-583-6
• MDL Number: MFCD00150240
• PubChem SID: 162093454
• PubChem CID: 165372

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: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 99% (REO); 99.99% (REO)

DETAILS

MP Biomedicals - 05203690

MP Biomedicals Rare Chemical collection