(E,2S,3S)-2-Amino-3-Hydroxy-2-(Hydroxymethyl)-14-Oxoicos-6-Enoic Acid
[CAS# 157183-67-0]

Identification

• Name: (E,2S,3S)-2-Amino-3-Hydroxy-2-(Hydroxymethyl)-14-Oxoicos-6-Enoic Acid
• Synonyms: (E,2S,3S)-2-Amino-3-Hydroxy-2-(Hydroxymethyl)-14-Oxo-Icos-6-Enoic Acid; (E,2S,3S)-2-Amino-3-Hydroxy-14-Keto-2-Methylol-Icos-6-Enoic Acid; 6-Eicosenoic Acid, 2-Amino-3-Hydroxy-2-(Hydroxymethyl)-14-Oxo-
• Molecular Formula: C₂₁H₃₉NO₅
• Molecular Weight: 385.54
• CAS Registry Number: 157183-67-0
• SMILES: [C@](C(=O)O)([C@@H](O)CC/C=C/CCCCCCC(=O)CCCCCC)(N)CO
• InChI: 1S/C21H39NO5/c1-2-3-4-11-14-18(24)15-12-9-7-5-6-8-10-13-16-19(25)21(22,17-23)20(26)27/h8,10,19,23,25H,2-7,9,11-17,22H2,1H3,(H,26,27)/b10-8+/t19-,21-/m0/s1
• InChIKey: CYGFHEVFZXDUGH-OQOWPKNGSA-N

Properties

• Density: 1.072g/cm³ (Cal.)
• Boiling point: 598.622°C at 760 mmHg (Cal.)
• Flash point: 315.835°C (Cal.)