(E)-2-Acetamido-3,4,5,14-Tetrahydroxyicos-6-Enoic Acid
[CAS# 121025-47-6]

Identification

• Name: (E)-2-Acetamido-3,4,5,14-Tetrahydroxyicos-6-Enoic Acid
• Synonyms: (E)-2-Acetamido-3,4,5,14-Tetrahydroxy-Icos-6-Enoic Acid; 6-Eicosenoic Acid, 2-(Acetylamino)-3,4,5,14-Tetrahydroxy-; Sphingofungin D
• Molecular Formula: C₂₂H₄₁NO₇
• Molecular Weight: 431.57
• CAS Registry Number: 121025-47-6
• SMILES: C(/C=C/C(O)C(O)C(O)C(NC(=O)C)C(=O)O)CCCCCC(O)CCCCCC
• InChI: 1S/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)20(27)21(28)19(22(29)30)23-16(2)24/h12,15,17-21,25-28H,3-11,13-14H2,1-2H3,(H,23,24)(H,29,30)/b15-12+
• InChIKey: VKFZVQCKAPPEFZ-NTCAYCPXSA-N

Properties

• Density: 1.142g/cm³ (Cal.)
• Boiling point: 704.446°C at 760 mmHg (Cal.)
• Flash point: 379.835°C (Cal.)