(5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid

• ChemBase ID: 132734
• Molecular Formular: C22H40O2
• Molecular Mass: 336.5518
• Monoisotopic Mass: 336.30283052
• SMILES: CCCCCCCCCCC/C=C\C(C)(C)/C=C\CCCC(=O)O
• Canonical SMILES: CCCCCCCCCCC/C=C\C(/C=C\CCCC(=O)O)(C)C
• InChI: InChI=1S/C22H40O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22(2,3)20-17-14-15-18-21(23)24/h16-17,19-20H,4-15,18H2,1-3H3,(H,23,24)/b19-16-,20-17-
• InChIKey: AGKRHAILCPYNFH-DUQSFWPASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid
• IUPAC Traditional name: (5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid
• Synonyms: DEDA; 7,7-Dimethyl-(5Z,8Z)-eicosadienoic acid

Database IDs

• CAS Number: 89560-01-0
• MDL Number: MFCD00133010
• PubChem SID: 24278388; 162227011
• PubChem CID: 5312331

CALCULATED PROPERTIES

• Acid pKa: 4.9331355
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 7.227508
• LogD (pH = 7.4): 5.4657965
• Log P: 7.8980803
• Molar Refractivity: 106.7445 cm^3
• Polarizability: 41.311405 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: -
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... ADORA2A(135), ADORA2B(136)

Product Information

• Purity: ≥95%

DETAILS

Sigma Aldrich - D8008

Biochem/physiol Actions
Inhibitor of phospholipase A2 and lipoxygenase.1 Inhibits endogenous synthesis of leukotrienes.