(5E,7Z,10Z,13Z,16Z,19Z)-4-Hydroxy-5,7,10,13,16,19-docosahexaenoic acid
[CAS# 90906-40-4]

Identification

• Name: (5E,7Z,10Z,13Z,16Z,19Z)-4-Hydroxy-5,7,10,13,16,19-docosahexaenoic acid
• Synonyms: (±)4-HDoHE; (±)-4-HDoHE; (±)-4-hydroxy-5E,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid
• Molecular Formula: C₂₂H₃₂O₃
• Molecular Weight: 344.49
• CAS Registry Number: 90906-40-4
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\C(CCC(=O)O)O
• InChI: 1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+
• InChIKey: IFRKCNPQVIJFAQ-PQVBWYSWSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 502.3±50.0°C at 760 mmHg (Cal.)
• Flash point: 271.7±26.6°C (Cal.)