icosa-8,11,14-trienoic acid

• ChemBase ID: 104962
• Molecular Formular: C20H34O2
• Molecular Mass: 306.48276
• Monoisotopic Mass: 306.25588033
• SMILES: CCCCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)O
• Canonical SMILES: CCCCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)O
• InChI: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)
• InChIKey: HOBAELRKJCKHQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: icosa-8,11,14-trienoic acid
• IUPAC Traditional name: dihomo-gamma-linolenic acid
• Synonyms: cis,cis,cis-8,11,14-Eicosatrienoic acid; DGLA; Dihomo-gamma-linolenic acid; Homo-β-linolenic acid; cis-8,11,14-EICOSATRIENOIC ACID

Database IDs

• CAS Number: 1783-84-2
• EC Number: 217-233-0
• PubChem SID: 162092291
• PubChem CID: 5282826; 5280581
• Chemspider ID: 4444199
• Wikipedia Title: Dihomo-gamma-linolenic_acid

CALCULATED PROPERTIES

• Acid pKa: 4.8858237
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.24093
• LogD (pH = 7.4): 4.4736137
• Log P: 6.9490924
• Molar Refractivity: 98.8374 cm^3
• Polarizability: 37.38399 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C, Store Under Nitrogen

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02157903

Purity: 99%
Sealed ampule (liquid).