(6Z,9Z,11E,13E,15R,16S)-15-(2-Acetamido-3-Hydroxy-3-Oxopropyl)Sulfanyl-16-Hydroxyicosa-6,9,11,13-Tetraenedioic Acid
[CAS# 112066-58-7]

Identification

• Name: (6Z,9Z,11E,13E,15R,16S)-15-(2-Acetamido-3-Hydroxy-3-Oxopropyl)Sulfanyl-16-Hydroxyicosa-6,9,11,13-Tetraenedioic Acid
• Synonyms: (6Z,9Z,11E,13E,15R,16S)-15-(2-Acetamido-3-Hydroxy-3-Oxo-Propyl)Sulfanyl-16-Hydroxy-Icosa-6,9,11,13-Tetraenedioic Acid; (6Z,9Z,11E,13E,15R,16S)-15-[(2-Acetamido-3-Hydroxy-3-Oxopropyl)Thio]-16-Hydroxyicosa-6,9,11,13-Tetraenedioic Acid; (6Z,9Z,11E,13E,15R,16S)-15-[(2-Acetamido-3-Hydroxy-3-Keto-Propyl)Thio]-16-Hydroxy-Icosa-6,9,11,13-Tetraenedioic Acid
• Molecular Formula: C₂₅H₃₇NO₈S
• Molecular Weight: 511.63
• CAS Registry Number: 112066-58-7
• SMILES: [C@H](SCC(NC(=O)C)C(=O)O)([C@@H](O)CCCC(=O)O)\C=C\C=C\C=C/C/C=C\CCCCC(=O)O
• InChI: 1S/C25H37NO8S/c1-19(27)26-20(25(33)34)18-35-22(21(28)14-13-17-24(31)32)15-11-9-7-5-3-2-4-6-8-10-12-16-23(29)30/h3-7,9,11,15,20-22,28H,2,8,10,12-14,16-18H2,1H3,(H,26,27)(H,29,30)(H,31,32)(H,33,34)/b5-3-,6-4-,9-7+,15-11+/t20?,21-,22+/m0/s1
• InChIKey: CDLXVLKWNIXANF-KNJAQYGHSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 814.157°C at 760 mmHg (Cal.)
• Flash point: 446.186°C (Cal.)