Leukotriene D-4 Sulfone
[CAS# 82850-10-0]

Identification

• Name: Leukotriene D-4 Sulfone
• Synonyms: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-Amino-3-(Carboxymethylamino)-3-Oxo-Propyl]Sulfonyl-5-Hydroxy-Icosa-7,9,11,14-Tetraenoic Acid; (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-Amino-3-(Carboxymethylamino)-3-Keto-Propyl]Sulfonyl-5-Hydroxy-Icosa-7,9,11,14-Tetraenoic Acid; Glycine, N-(3-((1-(4-Carboxy-1-Hydroxybutyl)-2,4,6,9-Pentadecatetraenyl)Sulfonyl)-L-Alanyl)-, (R-(R*,S*-(E,E,Z,Z)))-
• Molecular Formula: C₂₅H₄₀N₂O₈S
• Molecular Weight: 528.66
• CAS Registry Number: 82850-10-0
• SMILES: [C@H](C(NCC(=O)O)=O)(N)C[S](=O)(=O)[C@H](\C=C\C=C\C=C/C/C=C\CCCCC)[C@H](CCCC(=O)O)O
• InChI: 1S/C25H40N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)36(34,35)19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1
• InChIKey: SGJCICBAVKGMJF-IJHYULJSSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 858.143°C at 760 mmHg (Cal.)
• Flash point: 472.788°C (Cal.)