(2S)-2-[[(9Z,12Z)-Octadeca-9,12-Dienoyl]Amino]Pentanedioic Acid
[CAS# 2601-92-5]

Identification

• Name: (2S)-2-[[(9Z,12Z)-Octadeca-9,12-Dienoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[(9Z,12Z)-1-Oxooctadeca-9,12-Dienyl]Amino]Pentanedioic Acid; (2S)-2-[[(9Z,12Z)-Octadeca-9,12-Dienoyl]Amino]Glutaric Acid; (Z,Z)-N-(1-Oxo-9,12-Octadecadienyl)-L-Glutamic Acid
• Molecular Formula: C₂₃H₃₉NO₅
• Molecular Weight: 409.56
• CAS Registry Number: 2601-92-5
• SMILES: [C@H](C(=O)O)(NC(CCCCCCC\C=C/C/C=C\CCCCC)=O)CCC(=O)O
• InChI: 1S/C23H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27/h6-7,9-10,20H,2-5,8,11-19H2,1H3,(H,24,25)(H,26,27)(H,28,29)/b7-6-,10-9-/t20-/m0/s1
• InChIKey: KUOWDMBZTRBDRI-GSNKCQISSA-N

Properties

• Density: 1.048g/cm³ (Cal.)
• Boiling point: 616.653°C at 760 mmHg (Cal.)
• Flash point: 326.74°C (Cal.)