2-[[(E,1R,2S,3S)-3-Acetyloxy-1,2-Dihydroxy-12-Oxooctadec-4-Enyl]Amino]Propanedioic Acid
[CAS# 154032-80-1]

Identification

• Name: 2-[[(E,1R,2S,3S)-3-Acetyloxy-1,2-Dihydroxy-12-Oxooctadec-4-Enyl]Amino]Propanedioic Acid
• Synonyms: 2-[[(E,1R,2S,3S)-3-Acetoxy-1,2-Dihydroxy-12-Oxo-Octadec-4-Enyl]Amino]Propanedioic Acid; 2-[[(E,1R,2S,3S)-3-Acetoxy-1,2-Dihydroxy-12-Oxooctadec-4-Enyl]Amino]Propanedioic Acid; 2-[[(E,1R,2S,3S)-3-Acetoxy-1,2-Dihydroxy-12-Keto-Octadec-4-Enyl]Amino]Malonic Acid
• Molecular Formula: C₂₃H₃₉NO₉
• Molecular Weight: 473.56
• CAS Registry Number: 154032-80-1
• SMILES: [C@H](NC(C(=O)O)C(=O)O)([C@H]([C@H](\C=C\CCCCCCC(CCCCCC)=O)OC(=O)C)O)O
• InChI: 1S/C23H39NO9/c1-3-4-5-10-13-17(26)14-11-8-6-7-9-12-15-18(33-16(2)25)20(27)21(28)24-19(22(29)30)23(31)32/h12,15,18-21,24,27-28H,3-11,13-14H2,1-2H3,(H,29,30)(H,31,32)/b15-12+/t18-,20-,21+/m0/s1
• InChIKey: RGSGTYGXVZDMSM-XJMLHANGSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 703.945°C at 760 mmHg (Cal.)
• Flash point: 379.533°C (Cal.)