bismuth(3+) ion triammonium bis(2-hydroxypropane-1,2,3-tricarboxylate)

• ChemBase ID: 107020
• Molecular Formular: C12H22BiN3O14
• Molecular Mass: 641.29518
• Monoisotopic Mass: 641.0905754
• SMILES: [NH4+].[NH4+].[NH4+].[Bi+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.[NH4+].[NH4+].[NH4+].[Bi+3]
• InChI: InChI=1S/2C6H8O7.Bi.3H3N/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;3*1H3/q;;+3;;;/p-3
• InChIKey: VZZHAYFWMLLWGG-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bismuth(3+) ion triammonium bis(2-hydroxypropane-1,2,3-tricarboxylate)
• IUPAC Traditional name: bismuth(3+) ion triammonium dicitrate
• Synonyms: BISMUTH AMMONIUM CITRATE; Citric acid ammonium bismuth salt; Ammonium bismuth citrate; 柠檬酸铋铵盐; 柠檬酸铋铵

Database IDs

• CAS Number: 10377-58-4; 31886-41-6
• EC Number: 250-856-6
• MDL Number: MFCD00036420
• PubChem SID: 162093357; 24846386
• PubChem CID: 16211152

CALCULATED PROPERTIES

• Acid pKa: 3.0479515
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -4.949584
• LogD (pH = 7.4): -9.468992
• Log P: -1.3226875
• Molar Refractivity: 68.1352 cm^3
• Polarizability: 14.119506 Å^3
• Polar Surface Area: 140.62 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (KT)
• Grade: for microbiology
• Suitability: corresponds for suitability for microbiology
• Description: base ingredient for culture media