palladium(2+) ion bis(triphenylphosphane) diacetate

• ChemBase ID: 288326
• Molecular Formular: C40H36O4P2Pd
• Molecular Mass: 749.078962
• Monoisotopic Mass: 748.11236889
• SMILES: CC(=O)[O-].CC(=O)[O-].P(c1ccccc1)(c1ccccc1)c1ccccc1.P(c1ccccc1)(c1ccccc1)c1ccccc1.[Pd+2]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[O-]C(=O)C.[O-]C(=O)C.[Pd+2]
• InChI: InChI=1S/2C18H15P.2C2H4O2.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4;/h2*1-15H;2*1H3,(H,3,4);/q;;;;+2/p-2
• InChIKey: UVBXZOISXNZBLY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: palladium(2+) ion bis(triphenylphosphane) diacetate
• IUPAC Traditional name: palladium(2+) ion bis(triphenylphosphine) diacetate
• Synonyms: Bis(triphenylphosphine)palladium(II) acetate; Diacetatobis(triphenylphosphine)palladium(II); 二乙酰二(三苯基膦)钯(II)

Database IDs

• CAS Number: 14588-08-0
• EC Number: 238-628-4
• MDL Number: MFCD00010013
• PubChem SID: 180673857
• PubChem CID: 84538

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95+%; Pd 14.2%