(5S,7E,9E,11Z,14Z,17Z)-6-[(2R)-2-Amino-3-(Carboxymethylamino)-3-Oxopropyl]Sulfanyl-5-Hydroxyicosa-7,9,11,14,17-Pentaenoic Acid
[CAS# 79695-13-9]

Identification

• Name: (5S,7E,9E,11Z,14Z,17Z)-6-[(2R)-2-Amino-3-(Carboxymethylamino)-3-Oxopropyl]Sulfanyl-5-Hydroxyicosa-7,9,11,14,17-Pentaenoic Acid
• Synonyms: (5S,7E,9E,11Z,14Z,17Z)-6-[(2R)-2-Amino-3-(Carboxymethylamino)-3-Oxo-Propyl]Sulfanyl-5-Hydroxy-Icosa-7,9,11,14,17-Pentaenoic Acid; (5S,7E,9E,11Z,14Z,17Z)-6-[[(2R)-2-Amino-3-(Carboxymethylamino)-3-Oxopropyl]Thio]-5-Hydroxyicosa-7,9,11,14,17-Pentaenoic Acid; (5S,7E,9E,11Z,14Z,17Z)-6-[[(2R)-2-Amino-3-(Carboxymethylamino)-3-Keto-Propyl]Thio]-5-Hydroxy-Icosa-7,9,11,14,17-Pentaenoic Acid
• Molecular Formula: C₂₅H₃₈N₂O₆S
• Molecular Weight: 494.65
• CAS Registry Number: 79695-13-9
• SMILES: [C@H](C(NCC(=O)O)=O)(N)CSC(\C=C\C=C\C=C/C/C=C\C\C=C/CC)[C@H](CCCC(=O)O)O
• InChI: 1S/C25H38N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h3-4,6-7,9-13,16,20-22,28H,2,5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b4-3-,7-6-,10-9-,12-11+,16-13+/t20-,21-,22?/m0/s1
• InChIKey: RWLDHKGRPLNPBN-MFMDRJNHSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 788.946°C at 760 mmHg (Cal.)
• Flash point: 430.939°C (Cal.)