(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid

• ChemBase ID: 131789
• Molecular Formular: C20H32O2
• Molecular Mass: 304.46688
• Monoisotopic Mass: 304.24023026
• SMILES: C(=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)CCCCC
• Canonical SMILES: CCCCCC=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
• InChI: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
• InChIKey: YZXBAPSDXZZRGB-DOFZRALJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
• IUPAC Traditional name: arachidonic acid
• Synonyms: Arachidonic acid-5,6,8,9,11,12,14,15-3H(N)

Database IDs

• CAS Number: 66753-05-7
• MDL Number: MFCD00189527
• PubChem SID: 162226066
• PubChem CID: 3037205

CALCULATED PROPERTIES

• Acid pKa: 4.819772
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.8251953
• LogD (pH = 7.4): 4.052063
• Log P: 6.5871706
• Molar Refractivity: 99.954 cm^3
• Polarizability: 37.14881 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: ethanol solution
• Mass Shift: M+16

Safety Information

• European Hazard Symbols: Flammable (F); R; Irritant (Xi)
• UN Number: 2910
• German water hazard class: 3
• Hazard Class: 7
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36
• RID/ADR: UN 2910 7
• Storage Temperature: -20°C

Product Information

• Extent of Labeling: 180-240 Ci/mmol

DETAILS

Sigma Aldrich - A5711

包装
serum bottle