docosa-7,10,13,16-tetraenoic acid

• ChemBase ID: 105216
• Molecular Formular: C22H36O2
• Molecular Mass: 332.52004
• Monoisotopic Mass: 332.27153039
• SMILES: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)O
• Canonical SMILES: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)O
• InChI: InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)
• InChIKey: TWSWSIQAPQLDBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: docosa-7,10,13,16-tetraenoic acid
• IUPAC Traditional name: docosa-7,10,13,16-tetraenoic acid
• Synonyms: Docosatetraenoic acid; Adrenic Acid (22:4, n-6); Docosa-7z,10z,13z,16z-pentaenoic acid; cis-7,10,13,16-DOCOSATETRAENOIC ACID

Database IDs

• CAS Number: 28874-58-0
• PubChem SID: 162092172
• PubChem CID: 5282844; 5497181
• Chemspider ID: 4593749
• Wikipedia Title: Docosatetraenoic_acid

CALCULATED PROPERTIES

• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false
• Acid pKa: 4.955292
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.8230476
• LogD (pH = 7.4): 5.064379
• Log P: 7.4763083
• Molar Refractivity: 109.156 cm^3
• Polarizability: 40.841354 Å^3

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02159099

Purity: 98%