(E)-2-Amino-3,4,5-Trihydroxy-2-(Hydroxymethyl)-14-Oxoicos-6-Enoic Acid
[CAS# 145401-47-4]

Identification

• Name: (E)-2-Amino-3,4,5-Trihydroxy-2-(Hydroxymethyl)-14-Oxoicos-6-Enoic Acid
• Synonyms: (E)-2-Amino-3,4,5-Trihydroxy-2-(Hydroxymethyl)-14-Oxo-Icos-6-Enoic Acid; (E)-2-Amino-3,4,5-Trihydroxy-14-Keto-2-Methylol-Icos-6-Enoic Acid; Sphingofungin E
• Molecular Formula: C₂₁H₃₉NO₇
• Molecular Weight: 417.54
• CAS Registry Number: 145401-47-4
• SMILES: C(O)C(N)(C(O)C(O)C(O)\C=C\CCCCCCC(=O)CCCCCC)C(=O)O
• InChI: 1S/C21H39NO7/c1-2-3-4-9-12-16(24)13-10-7-5-6-8-11-14-17(25)18(26)19(27)21(22,15-23)20(28)29/h11,14,17-19,23,25-27H,2-10,12-13,15,22H2,1H3,(H,28,29)/b14-11+
• InChIKey: UKUPHONHODZPDA-SDNWHVSQSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 675.411°C at 760 mmHg (Cal.)
• Flash point: 362.275°C (Cal.)