diyttrium(3+) ion trihydrate tricarbonate

• ChemBase ID: 111572
• Molecular Formular: C3H6O12Y2
• Molecular Mass: 411.88424
• Monoisotopic Mass: 411.79762163
• SMILES: O.O.O.[Y+3].[Y+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-].O.O.O.[Y+3].[Y+3]
• InChI: InChI=1S/3CH2O3.3H2O.2Y/c3*2-1(3)4;;;;;/h3*(H2,2,3,4);3*1H2;;/q;;;;;;2*+3/p-6
• InChIKey: UVYDFPFCJDQZQF-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: diyttrium(3+) ion trihydrate tricarbonate
• IUPAC Traditional name: diyttrium(3+) trihydrate triCO3; diyttrium(3+) ion trihydrate tricarbonate
• Synonyms: YTTRIUM CARBONATE; Yttrium(III) carbonate hydrate, REacton®; Yttrium(III) carbonate hydrate; 水合碳酸钇(III), REacton®; 水合碳酸钇(III)

Database IDs

• CAS Number: 38245-39-5; 5970-44-5
• EC Number: 209-119-4
• MDL Number: MFCD00149943
• Merck Index: 1410107
• PubChem SID: 162097183
• PubChem CID: 25022292

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: 99.9%; 99.9% (REO); 99.99% (REO)