bismuth(3+) ion sodium bis(2,3-dihydroxybutanedioate)

• ChemBase ID: 109714
• Molecular Formular: C8H8BiNaO12
• Molecular Mass: 528.11209
• Monoisotopic Mass: 527.97174298
• SMILES: [Na+].[Bi+3].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-]
• Canonical SMILES: OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].[Na+].[Bi+3]
• InChI: InChI=1S/2C4H6O6.Bi.Na/c2*5-1(3(7)8)2(6)4(9)10;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;/q;;+3;+1/p-4
• InChIKey: YLQCOSAFPRCDKP-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bismuth(3+) ion sodium bis(2,3-dihydroxybutanedioate)
• IUPAC Traditional name: bismuth(3+) ion potassium ditartrate
• Synonyms: BISMUTH SODIUM TARTRATE

Database IDs

• CAS Number: 31586-77-3
• EC Number: 250-719-0
• PubChem SID: 162095274
• PubChem CID: 134954

CALCULATED PROPERTIES

• Acid pKa: 2.719041
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -5.323427
• LogD (pH = 7.4): -7.890869
• Log P: -1.8287998
• Molar Refractivity: 47.8876 cm^3
• Polarizability: 10.630576 Å^3
• Polar Surface Area: 120.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: WW8035500

DETAILS

MP Biomedicals - 05212309

MP Biomedicals Rare Chemical collection