digadolinium(3+) ion decahydrate trioxalate

• ChemBase ID: 303042
• Molecular Formular: C6H20Gd2O22
• Molecular Mass: 758.7098
• Monoisotopic Mass: 759.89282828
• SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.O.O.O.O.O.O.O.O.O.[Gd+3].[Gd+3]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].O.O.O.O.O.O.O.O.O.O.[Gd+3].[Gd+3]
• InChI: InChI=1S/3C2H2O4.2Gd.10H2O/c3*3-1(4)2(5)6;;;;;;;;;;;;/h3*(H,3,4)(H,5,6);;;10*1H2/q;;;2*+3;;;;;;;;;;/p-6
• InChIKey: MOJMYWALZOTAOX-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: digadolinium(3+) ion decahydrate trioxalate
• IUPAC Traditional name: digadolinium(3+) ion decahydrate trioxalate
• Synonyms: Gadolinium(III) oxalate hydrate; 水合草酸钆(III)

Database IDs

• CAS Number: 100655-00-3
• MDL Number: MFCD00150145

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 36.1128 cm^3
• Polarizability: 5.6277657 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 110°C -6H{2}O

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: X
• UN Number: UN3288
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21/22
• Safety Statements: 24/25
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280-P302+P352-P322-P301+P312-P312-P501A

Product Information

• Purity: 99.9% (REO)