(E)-2-Amino-3,4,5-Trihydroxy-2-Methyl-14-Oxoicos-6-Enoic Acid
[CAS# 145401-48-5]

Identification

• Name: (E)-2-Amino-3,4,5-Trihydroxy-2-Methyl-14-Oxoicos-6-Enoic Acid
• Synonyms: (E)-2-Amino-3,4,5-Trihydroxy-2-Methyl-14-Oxo-Icos-6-Enoic Acid; (E)-2-Amino-3,4,5-Trihydroxy-14-Keto-2-Methyl-Icos-6-Enoic Acid; Sphingofungin F
• Molecular Formula: C₂₁H₃₉NO₆
• Molecular Weight: 401.54
• CAS Registry Number: 145401-48-5
• SMILES: C(/C=C/C(O)C(O)C(O)C(N)(C(=O)O)C)CCCCCC(=O)CCCCCC
• InChI: 1S/C21H39NO6/c1-3-4-5-10-13-16(23)14-11-8-6-7-9-12-15-17(24)18(25)19(26)21(2,22)20(27)28/h12,15,17-19,24-26H,3-11,13-14,22H2,1-2H3,(H,27,28)/b15-12+
• InChIKey: KEACSJIKRANUJC-NTCAYCPXSA-N

Properties

• Density: 1.122g/cm³ (Cal.)
• Boiling point: 631.647°C at 760 mmHg (Cal.)
• Flash point: 335.808°C (Cal.)