tris($l^{2}-lead(2+) ion) bis(2-hydroxypropane-1,2,3-tricarboxylate)

• ChemBase ID: 109042
• Molecular Formular: C12H10O14Pb3
• Molecular Mass: 999.7994
• Monoisotopic Mass: 1001.937011
• SMILES: [Pb+2].[Pb+2].[Pb+2].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.[Pb+2].[Pb+2].[Pb+2]
• InChI: InChI=1S/2C6H8O7.3Pb/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);;;/q;;3*+2/p-6
• InChIKey: HOQPTLCRWVZIQZ-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: tris($l^{2}-lead(2+) ion) bis(2-hydroxypropane-1,2,3-tricarboxylate)
• IUPAC Traditional name: tris($l^{2}-lead(2+) ion) dicitrate
• Synonyms: LEAD CITRATE

Database IDs

• CAS Number: 512-26-5
• EC Number: 208-141-1
• PubChem SID: 162094652
• PubChem CID: 159739

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

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• Risk Statements: R:20/22-33-50/53-61-62
• Safety Statements: S:45-53-60-61

DETAILS

MP Biomedicals - 05209615

MP Biomedicals Rare Chemical collection