12-Hydroperoxy-5,8,11,14,17-Eicosapentaenoic Acid
[CAS# 101973-23-3]

Identification

• Name: 12-Hydroperoxy-5,8,11,14,17-Eicosapentaenoic Acid
• Synonyms: 12-Hpepe; 12-Hydroperoxy-5,8,11,14,17-Eicosapentaenoic Acid; 12S-Hpepe
• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.45
• CAS Registry Number: 101973-23-3
• SMILES: C(\C(OO)=C\C\C=C\C\C=C\CCCC(=O)O)/C=C/C/C=C/CC
• InChI: 1S/C20H30O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h3-4,7-11,13,17,23H,2,5-6,12,14-16,18H2,1H3,(H,21,22)/b4-3+,9-7+,11-8+,13-10+,19-17-
• InChIKey: NSDJFYFQYRSVOM-AWSWXBLASA-N

Properties

• Density: 1.029g/cm³ (Cal.)
• Boiling point: 513.163°C at 760 mmHg (Cal.)
• Flash point: 174.471°C (Cal.)