16-Carboxytetranordihydroleukotriene E4
[CAS# 122069-63-0]

Identification

• Name: 16-Carboxytetranordihydroleukotriene E4
• Synonyms: (5Z,7E,9E,11R,12S)-11-[(2R)-2-Amino-3-Hydroxy-3-Oxo-Propyl]Sulfanyl-12-Hydroxy-Hexadeca-5,7,9-Trienedioic Acid; (5Z,7E,9E,11R,12S)-11-[[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Thio]-12-Hydroxyhexadeca-5,7,9-Trienedioic Acid; (5Z,7E,9E,11R,12S)-11-[[(2R)-2-Amino-3-Hydroxy-3-Keto-Propyl]Thio]-12-Hydroxy-Hexadeca-5,7,9-Trienedioic Acid
• Molecular Formula: C₁₉H₂₉NO₇S
• Molecular Weight: 415.50
• CAS Registry Number: 122069-63-0
• SMILES: [C@@H](\C=C\C=C\C=C/CCCC(=O)O)([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N
• InChI: 1S/C19H29NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-4,6,10,14-16,21H,5,7-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,10-6+/t14-,15-,16+/m0/s1
• InChIKey: LDJCPGIDJQSRGG-XFJBKEMKSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 729.864°C at 760 mmHg (Cal.)
• Flash point: 395.208°C (Cal.)