tris(λ2-lead(2+) ion) bis(2-hydroxypropane-1,2,3-tricarboxylate) trihydrate

• ChemBase ID: 295171
• Molecular Formular: C12H16O17Pb3
• Molecular Mass: 1053.84524
• Monoisotopic Mass: 1055.96870505
• SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.[Pb+2].[Pb+2].[Pb+2]
• Canonical SMILES: [O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.O.O.O.[Pb+2].[Pb+2].[Pb+2]
• InChI: InChI=1S/2C6H8O7.3H2O.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);3*1H2;;;/q;;;;;3*+2/p-6
• InChIKey: GMPMGSCJCDAUMP-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(λ^2-lead(2+) ion) bis(2-hydroxypropane-1,2,3-tricarboxylate) trihydrate
• IUPAC Traditional name: tris(λ^2-lead(2+) ion) dicitrate trihydrate
• Synonyms: Citric acid lead(II) salt trihydrate; Lead(II) citrate trihydrate; 柠檬酸铅(II)三水合物

Database IDs

• CAS Number: 6107-83-1
• EC Number: 208-141-1
• MDL Number: MFCD00150456
• PubChem SID: 180680702
• PubChem CID: 2735068

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

Physical Property

• Solubility: Soluble in cold water

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN2291
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 61-62-20/22-33-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Hazard statements: H360-H373-H400-H410-H302-H332
• GHS Precautionary statements: P260-P261-P281-P304+P340-P405-P501A

Product Information

• Purity: 99%