diterbium(3+) ion hydrate tricarbonate

• ChemBase ID: 137944
• Molecular Formular: C3H2O10Tb2
• Molecular Mass: 515.89266
• Monoisotopic Mass: 515.81548826
• SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.[Tb+3].[Tb+3]
• Canonical SMILES: [O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].O.[Tb+3].[Tb+3]
• InChI: InChI=1S/3CH2O3.H2O.2Tb/c3*2-1(3)4;;;/h3*(H2,2,3,4);1H2;;/q;;;;2*+3/p-6
• InChIKey: BIKXNTALUHUKPA-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: diterbium(3+) ion hydrate tricarbonate
• IUPAC Traditional name: diterbium(3+) ion hydrate tricarbonate
• Synonyms: Terbium(III) carbonate hydrate; 碳酸铽(III) 水合物

Database IDs

• CAS Number: 100587-96-0
• EC Number: 228-002-9
• MDL Number: MFCD00149234
• PubChem SID: 162232204
• PubChem CID: 57346090

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

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.9%
• Linear Formula: Tb2(CO3)3 · xH2O