(5S,6R,7E,9E,11Z,14Z)-6-(2-Amino-3-Hydroxy-3-Oxopropyl)Sulfanyl-20,20,20-Trifluoro-5-Hydroxyicosa-7,9,11,14-Tetraenoic Acid
[CAS# 131074-64-1]

Identification

• Name: (5S,6R,7E,9E,11Z,14Z)-6-(2-Amino-3-Hydroxy-3-Oxopropyl)Sulfanyl-20,20,20-Trifluoro-5-Hydroxyicosa-7,9,11,14-Tetraenoic Acid
• Synonyms: (5S,6R,7E,9E,11Z,14Z)-6-(2-Amino-3-Hydroxy-3-Oxo-Propyl)Sulfanyl-20,20,20-Trifluoro-5-Hydroxy-Icosa-7,9,11,14-Tetraenoic Acid; (5S,6R,7E,9E,11Z,14Z)-6-[(2-Amino-3-Hydroxy-3-Oxopropyl)Thio]-20,20,20-Trifluoro-5-Hydroxyicosa-7,9,11,14-Tetraenoic Acid; (5S,6R,7E,9E,11Z,14Z)-6-[(2-Amino-3-Hydroxy-3-Keto-Propyl)Thio]-20,20,20-Trifluoro-5-Hydroxy-Icosa-7,9,11,14-Tetraenoic Acid
• Molecular Formula: C₂₃H₃₄F₃NO₅S
• Molecular Weight: 493.58
• CAS Registry Number: 131074-64-1
• SMILES: [C@H](SCC(N)C(=O)O)([C@@H](O)CCCC(=O)O)\C=C\C=C\C=C/C\C=C/CCCCC(F)(F)F
• InChI: 1S/C23H34F3NO5S/c24-23(25,26)16-11-9-7-5-3-1-2-4-6-8-10-14-20(33-17-18(27)22(31)32)19(28)13-12-15-21(29)30/h2-6,8,10,14,18-20,28H,1,7,9,11-13,15-17,27H2,(H,29,30)(H,31,32)/b4-2-,5-3-,8-6+,14-10+/t18?,19-,20+/m0/s1
• InChIKey: KOJLKTXOQDHBBV-LGOCROHXSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 667.567°C at 760 mmHg (Cal.)
• Flash point: 357.532°C (Cal.)