N-Stearoyltyrosine Methyl Ester
[CAS# 122445-70-9]

Identification

• Name: N-Stearoyltyrosine Methyl Ester
• Synonyms: (2S)-3-(4-Hydroxyphenyl)-2-(1-Oxooctadecylamino)Propanoic Acid Methyl Ester; (2S)-3-(4-Hydroxyphenyl)-2-Stearamido-Propionic Acid Methyl Ester; N-Stearoyltyrosine Methyl Ester
• Molecular Formula: C₂₈H₄₇NO₄
• Molecular Weight: 461.68
• CAS Registry Number: 122445-70-9
• SMILES: [C@H](C(=O)OC)(NC(CCCCCCCCCCCCCCCCC)=O)CC1=CC=C(O)C=C1
• InChI: 1S/C28H47NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(31)29-26(28(32)33-2)23-24-19-21-25(30)22-20-24/h19-22,26,30H,3-18,23H2,1-2H3,(H,29,31)/t26-/m0/s1
• InChIKey: BXGLCPSPURNXQE-SANMLTNESA-N

Properties

• Density: 1.002g/cm³ (Cal.)
• Boiling point: 612.409°C at 760 mmHg (Cal.)
• Flash point: 324.174°C (Cal.)