Leukotriene C-4 Sulfone
[CAS# 82890-06-0]

Identification

• Name: Leukotriene C-4 Sulfone
• Synonyms: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(2S)-2-Amino-5-Hydroxy-5-Oxo-Pentanoyl]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-[[(2S)-2-Amino-5-Hydroxy-1,5-Dioxopentyl]Amino]-3-(Carboxymethylamino)-3-Oxopropyl]Sulfonyl-5-Hydroxyicosa-7,9,11,14-Tetraenoic Acid; (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(2S)-2-Amino-5-Hydroxy-5-Keto-Pentanoyl]Amino]-3-(Carboxymethylamino)-3-Keto-Propyl]Sulfonyl-5-Hydroxy-Icosa-7,9,11,14-Tetraenoic Acid
• Molecular Formula: C₃₀H₄₇N₃O₁₁S
• Molecular Weight: 657.77
• CAS Registry Number: 82890-06-0
• SMILES: [C@H]([S](=O)(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O)([C@@H](O)CCCC(=O)O)\C=C\C=C\C=C/C/C=C\CCCCC
• InChI: 1S/C30H47N3O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-26(35)36)45(43,44)21-23(30(42)32-20-28(39)40)33-29(41)22(31)18-19-27(37)38/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,42)(H,33,41)(H,35,36)(H,37,38)(H,39,40)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
• InChIKey: JWPIRZFYDSPLAY-NXOLIXFESA-N

Properties

• Density: 1.271g/cm³ (Cal.)
• Boiling point: 1043.88°C at 760 mmHg (Cal.)
• Flash point: 585.118°C (Cal.)