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

• ChemBase ID: 131020
• Molecular Formular: C20H34O
• Molecular Mass: 290.48336
• Monoisotopic Mass: 290.26096571
• SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO
• Canonical SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO
• InChI: InChI=1S/C20H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h6-7,9-10,12-13,15-16,21H,2-5,8,11,14,17-20H2,1H3/b7-6-,10-9-,13-12-,16-15-
• InChIKey: NYBCZSBDKXGAGM-DOFZRALJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-ol
• IUPAC Traditional name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-ol
• Synonyms: Arachidonyl alcohol

Database IDs

• CAS Number: 13487-46-2
• MDL Number: MFCD00056662
• PubChem SID: 162225298
• PubChem CID: 10891603

CALCULATED PROPERTIES

• Acid pKa: 16.918652
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.470734
• LogD (pH = 7.4): 6.470734
• Log P: 6.470734
• Molar Refractivity: 100.2173 cm^3
• Polarizability: 37.32096 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid

Safety Information

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

DETAILS

Sigma Aldrich - A7760

包装
Sealed ampule.