(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl acetate

• ChemBase ID: 132827
• Molecular Formular: C22H36O2
• Molecular Mass: 332.52004
• Monoisotopic Mass: 332.27153039
• SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(=O)C
• Canonical SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(=O)C
• InChI: InChI=1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22(2)23/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
• InChIKey: RKNFFTAYULCRTQ-ZKWNWVNESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl acetate
• IUPAC Traditional name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl acetate
• Synonyms: Acetic acid arachidonyl ester; Arachidonyl acetate

Database IDs

• CAS Number: 56663-39-9
• MDL Number: MFCD00057765
• PubChem SID: 162227104; 24891323
• PubChem CID: 16218972

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.9118595
• LogD (pH = 7.4): 6.9118595
• Log P: 6.9118595
• Molar Refractivity: 109.3688 cm^3
• Polarizability: 41.105614 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid

Safety Information

• German water hazard class: 3
• Storage Temperature: -20°C

Product Information

• Purity: ~99%

DETAILS

Sigma Aldrich - A8260

包装
Sealed ampule.