manganese(2+) ion bis(octadeca-9,12-dienoate)

• ChemBase ID: 112640
• Molecular Formular: C36H62MnO4
• Molecular Mass: 613.813129
• Monoisotopic Mass: 613.40285556
• SMILES: [Mn+2].CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].[Mn+2]
• InChI: InChI=1S/2C18H32O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2
• InChIKey: SEAWWISVQGCBOW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: manganese(2+) ion bis(octadeca-9,12-dienoate)
• IUPAC Traditional name: manganese(II) bis(octadeca-9,12-dienoate)
• Synonyms: MANGANESE LINOLEATE

Database IDs

• PubChem SID: 162106739
• PubChem CID: 21297009

CALCULATED PROPERTIES

• Acid pKa: 4.9881673
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.7939434
• LogD (pH = 7.4): 4.040287
• Log P: 6.421877
• Molar Refractivity: 99.355896 cm^3
• Polarizability: 33.821545 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 28
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05225097

MP Biomedicals Rare Chemical collection