5S-Hydroxy-6R-(S-(2-Oxo-3-Thiopropionyl))-7E,9E,11Z,14Z-Eicosatetraenoic Acid
[CAS# 117675-20-4]

Identification

• Name: 5S-Hydroxy-6R-(S-(2-Oxo-3-Thiopropionyl))-7E,9E,11Z,14Z-Eicosatetraenoic Acid
• Synonyms: (5S,6R,7E,9E,11Z,14Z)-5-Hydroxy-6-[(3-Hydroxy-2,3-Dioxopropyl)Thio]Icosa-7,9,11,14-Tetraenoic Acid; 3-[[(1R,2E,4E,6Z,9Z)-1-[(1S)-1,5-Dihydroxy-5-Keto-Pentyl]Pentadeca-2,4,6,9-Tetraenyl]Thio]-2-Keto-Propionic Acid; (5S,6R,7E,9E,11Z,14Z)-5-Hydroxy-6-(3-Hydroxy-2,3-Dioxo-Propyl)Sulfanyl-Icosa-7,9,11,14-Tetraenoic Acid
• Molecular Formula: C₂₃H₃₄O₆S
• Molecular Weight: 438.58
• CAS Registry Number: 117675-20-4
• SMILES: [C@H](CCCC(=O)O)([C@@H](\C=C\C=C\C=C/C/C=C\CCCCC)SCC(=O)C(=O)O)O
• InChI: 1S/C23H34O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-20(25)23(28)29)19(24)15-14-17-22(26)27/h6-7,9-13,16,19,21,24H,2-5,8,14-15,17-18H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,21+/m0/s1
• InChIKey: IBQMGZLNUJDKJY-OODJPBEGSA-N

Properties

• Density: 1.15g/cm³ (Cal.)
• Boiling point: 646.538°C at 760 mmHg (Cal.)
• Flash point: 344.814°C (Cal.)