(5S,6R,7E,9E,11Z)-6-[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Sulfanyl-5-Hydroxyicosa-7,9,11-Trienoic Acid
[CAS# 79494-05-6]

Identification

• Name: (5S,6R,7E,9E,11Z)-6-[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Sulfanyl-5-Hydroxyicosa-7,9,11-Trienoic Acid
• Synonyms: (5S,6R,7E,9E,11Z)-6-[(2R)-2-Amino-3-Hydroxy-3-Oxo-Propyl]Sulfanyl-5-Hydroxy-Icosa-7,9,11-Trienoic Acid; (5S,6R,7E,9E,11Z)-6-[[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Thio]-5-Hydroxyicosa-7,9,11-Trienoic Acid; (2R)-2-Amino-3-[[(1R,2E,4E,6Z)-1-[(1S)-1,5-Dihydroxy-5-Keto-Pentyl]Pentadeca-2,4,6-Trienyl]Thio]Propionic Acid
• Molecular Formula: C₂₃H₃₉NO₅S
• Molecular Weight: 441.62
• CAS Registry Number: 79494-05-6
• SMILES: [C@H](CCCC(=O)O)([C@@H](\C=C\C=C\C=C/CCCCCCCC)SC[C@@H](C(=O)O)N)O
• InChI: 1S/C23H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h9-13,16,19-21,25H,2-8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
• InChIKey: KRTWHKZMWCZCIK-VRZYSOTLSA-N

Properties

• Density: 1.119g/cm³ (Cal.)
• Boiling point: 660.647°C at 760 mmHg (Cal.)
• Flash point: 353.347°C (Cal.)