gadolinium(3+) ion tris(nitrooxidane)

• ChemBase ID: 110656
• Molecular Formular: GdN3O9
• Molecular Mass: 343.2647
• Monoisotopic Mass: 343.8875566
• SMILES: [Gd+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[Gd+3]
• InChI: InChI=1S/Gd.3NO3/c;3*2-1(3)4/q+3;3*-1
• InChIKey: MWFSXYMZCVAQCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: gadolinium(3+) ion tris(nitrooxidane)
• IUPAC Traditional name: gadolinium(3+) trinitronate; gadolinium(3+) ion trinitronate
• Synonyms: GADOLINIUM NITRATE; Gadolinium(III) nitrate

Database IDs

• CAS Number: 10168-81-7; 19598-90-4
• PubChem SID: 162097003
• PubChem CID: 159266
• Chemspider ID: 140078
• Wikipedia Title: Gadolinium(III)_nitrate

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 9.8534 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 68.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Apperance: White crystalline solid
• Melting Point: 91 °C; 91°C
• Density: 2.3 g/cm^3

Safety Information

• European Hazard Symbols: Oxidising (O)
• Risk Statements: R:9-18
• Safety Statements: S:13-16-27

Product Information

• Purity: 99.9%

DETAILS

MP Biomedicals - 05215849

MP Biomedicals Rare Chemical collection