diyttrium(3+) ion nonahydrate trioxalate

• ChemBase ID: 111582
• Molecular Formular: C6H18O21Y2
• Molecular Mass: 604.00622
• Monoisotopic Mass: 603.8457536
• SMILES: O.O.O.O.O.O.O.O.O.[Y+3].[Y+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-]
• 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.[Y+3].[Y+3]
• InChI: InChI=1S/3C2H2O4.9H2O.2Y/c3*3-1(4)2(5)6;;;;;;;;;;;/h3*(H,3,4)(H,5,6);9*1H2;;/q;;;;;;;;;;;;2*+3/p-6
• InChIKey: CTXJKXXQOORSKU-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: diyttrium(3+) ion nonahydrate trioxalate
• IUPAC Traditional name: diyttrium(3+) nonahydrate trioxalate ion
• Synonyms: YTTRIUM OXALATE

Database IDs

• CAS Number: 13266-82-5
• PubChem SID: 162089620
• PubChem CID: 3084136

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

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05219949

MP Biomedicals Rare Chemical collection