methyl icosa-5,8,11,14-tetraenoate

• ChemBase ID: 102254
• Molecular Formular: C21H34O2
• Molecular Mass: 318.49346
• Monoisotopic Mass: 318.25588033
• SMILES: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC
• Canonical SMILES: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC
• InChI: InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3
• InChIKey: OFIDNKMQBYGNIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl icosa-5,8,11,14-tetraenoate
• IUPAC Traditional name: methyl icosa-5,8,11,14-tetraenoate
• Synonyms: Methyl arachidonate; ARACHIDONIC ACID METHYL ESTER

Database IDs

• CAS Number: 2566-89-4
• EC Number: 219-900-1
• PubChem SID: 162088151
• PubChem CID: 5367365

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.7330647
• LogD (pH = 7.4): 6.7330647
• Log P: 6.7330647
• Molar Refractivity: 104.7231 cm^3
• Polarizability: 39.259087 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: ≥99%

DETAILS

MP Biomedicals - 02100851

Purity: 99+%