λ2-tin(2+) ion dihexadecanoate

• ChemBase ID: 132162
• Molecular Formular: C32H62O4Sn
• Molecular Mass: 629.53328
• Monoisotopic Mass: 630.36700446
• SMILES: CCCCCCCCCCCCCCCC(=O)[O-].[Sn+2].CCCCCCCCCCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Sn+2]
• InChI: InChI=1S/2C16H32O2.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2
• InChIKey: SMUSIFOACPPWGZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-tin(2+) ion dihexadecanoate
• IUPAC Traditional name: λ^2-tin(2+) ion bis(n-hexadecanoate)
• Synonyms: Stannous hexadecanoate; Stannous palmitate; Tin(II) palmitate

Database IDs

• CAS Number: 35104-88-2
• EC Number: 252-364-7
• MDL Number: MFCD00053336
• PubChem SID: 24899619; 162226439
• PubChem CID: 169661

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.600777
• LogD (pH = 7.4): 3.8416421
• Log P: 6.2565827
• Molar Refractivity: 87.9207 cm^3
• Polarizability: 30.60571 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 28
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C