(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Sulfanyl-5,20-Dihydroxyicosa-7,9,11,14-Tetraenoic Acid
[CAS# 111844-33-8]

Identification

• Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Sulfanyl-5,20-Dihydroxyicosa-7,9,11,14-Tetraenoic Acid
• Synonyms: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-Amino-3-Hydroxy-3-Oxo-Propyl]Sulfanyl-5,20-Dihydroxy-Icosa-7,9,11,14-Tetraenoic Acid; (5S,6R,7E,9E,11Z,14Z)-6-[[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Thio]-5,20-Dihydroxyicosa-7,9,11,14-Tetraenoic Acid; (5S,6R,7E,9E,11Z,14Z)-6-[[(2R)-2-Amino-3-Hydroxy-3-Keto-Propyl]Thio]-5,20-Dihydroxy-Icosa-7,9,11,14-Tetraenoic Acid
• Molecular Formula: C₂₃H₃₇NO₆S
• Molecular Weight: 455.61
• CAS Registry Number: 111844-33-8
• SMILES: [C@H](O)(CCCC(O)=O)[C@H](SC[C@H](N)C(O)=O)\C=C\C=C\C=C/C\C=C/CCCCCO
• InChI: 1S/C23H37NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,19-21,25-26H,1,6,8,10,12-14,16-18,24H2,(H,27,28)(H,29,30)/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1
• InChIKey: BJRMBXPQAMDCMG-CMJQBAFXSA-N

Properties

• Density: 1.181g/cm³ (Cal.)
• Boiling point: 717.675°C at 760 mmHg (Cal.)
• Flash point: 387.836°C (Cal.)