$l^{2}-lead(2+) ion decanedioate

• ChemBase ID: 108001
• Molecular Formular: C10H16O4Pb
• Molecular Mass: 407.43164
• Monoisotopic Mass: 408.08151099
• SMILES: [Pb+2].[O-]C(=O)CCCCCCCCC(=O)[O-]
• Canonical SMILES: [O-]C(=O)CCCCCCCCC(=O)[O-].[Pb+2]
• InChI: InChI=1S/C10H18O4.Pb/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;/h1-8H2,(H,11,12)(H,13,14);/q;+2/p-2
• InChIKey: QCWKNPBWGUZSTH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: $l^{2}-lead(2+) ion decanedioate
• IUPAC Traditional name: $l^{2}-lead(2+) ion 1,10-decanedioate
• Synonyms: LEAD SEBACATE

Database IDs

• CAS Number: 29473-77-6
• EC Number: 249-660-3
• PubChem SID: 162094179
• PubChem CID: 25021835

CALCULATED PROPERTIES

• Acid pKa: 4.720087
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0629376
• LogD (pH = 7.4): -2.4331248
• Log P: 2.268929
• Molar Refractivity: 72.8172 cm^3
• Polarizability: 20.010502 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

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 - 05205727

MP Biomedicals Rare Chemical collection