(5S,6R,7E,9E,11Z,14Z,17Z)-6-(2-Amino-3-Hydroxy-3-Oxopropyl)Sulfanyl-5-Hydroxyicosa-7,9,11,14,17-Pentaenoic Acid
[CAS# 79695-14-0]

Identification

• Name: (5S,6R,7E,9E,11Z,14Z,17Z)-6-(2-Amino-3-Hydroxy-3-Oxopropyl)Sulfanyl-5-Hydroxyicosa-7,9,11,14,17-Pentaenoic Acid
• Synonyms: (5S,6R,7E,9E,11Z,14Z,17Z)-6-(2-Amino-3-Hydroxy-3-Oxo-Propyl)Sulfanyl-5-Hydroxy-Icosa-7,9,11,14,17-Pentaenoic Acid; (5S,6R,7E,9E,11Z,14Z,17Z)-6-[(2-Amino-3-Hydroxy-3-Oxopropyl)Thio]-5-Hydroxyicosa-7,9,11,14,17-Pentaenoic Acid; (5S,6R,7E,9E,11Z,14Z,17Z)-6-[(2-Amino-3-Hydroxy-3-Keto-Propyl)Thio]-5-Hydroxy-Icosa-7,9,11,14,17-Pentaenoic Acid
• Molecular Formula: C₂₃H₃₅NO₅S
• Molecular Weight: 437.59
• CAS Registry Number: 79695-14-0
• SMILES: [C@H](SCC(N)C(=O)O)([C@@H](O)CCCC(=O)O)\C=C\C=C\C=C/C/C=C\C\C=C/CC
• InChI: 1S/C23H35NO5S/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/h3-4,6-7,9-13,16,19-21,25H,2,5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b4-3-,7-6-,10-9-,12-11+,16-13+/t19?,20-,21+/m0/s1
• InChIKey: FTIGTMSREJDHKN-WYKXAESBSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Boiling point: 676.911°C at 760 mmHg (Cal.)
• Flash point: 363.183°C (Cal.)