bismuth(3+) ion tris(2-hydroxypropanoate)

• ChemBase ID: 108932
• Molecular Formular: C9H15BiO9
• Molecular Mass: 476.1904
• Monoisotopic Mass: 476.05200506
• SMILES: [Bi+3].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-]
• Canonical SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Bi+3]
• InChI: InChI=1S/3C3H6O3.Bi/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);/q;;;+3/p-3
• InChIKey: ZDHGGOUPMGSLBR-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bismuth(3+) ion tris(2-hydroxypropanoate)
• IUPAC Traditional name: bismuth(3+) ion trilactate
• Synonyms: BISMUTH LACTATE

Database IDs

• CAS Number: 6591-53-3
• PubChem SID: 162095669
• PubChem CID: 21716098

CALCULATED PROPERTIES

• Acid pKa: 3.7849424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1885695
• LogD (pH = 7.4): -3.7410624
• Log P: -0.4718295
• Molar Refractivity: 29.6769 cm^3
• Polarizability: 7.4274864 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true