(2R,3S,4E)-3-Hydroxy-2-(Tetracosanoylamino)-4-Octadecen-1-Yl Benzoate
[CAS# 123446-98-0]

Identification

• Name: (2R,3S,4E)-3-Hydroxy-2-(Tetracosanoylamino)-4-Octadecen-1-Yl Benzoate
• Synonyms: (2R,3S,4E)-3-Hydroxy-2-(tetracosanoylamino)-4-octadecen-1-yl benzoate; (2R,3S,4E)-3-Hydroxy-2-(tetracosanoylamino)-4-octadecen-1-yl-benzoat
• Molecular Formula: C₄₉H₈₇NO₄
• Molecular Weight: 754.22
• CAS Registry Number: 123446-98-0
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](COC(=O)c1ccccc1)[C@H](/C=C/CCCCCCCCCCCCC)O
• InChI: 1S/C49H87NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-39-43-48(52)50-46(44-54-49(53)45-40-36-35-37-41-45)47(51)42-38-33-31-29-27-25-16-14-12-10-8-6-4-2/h35-38,40-42,46-47,51H,3-34,39,43-44H2,1-2H3,(H,50,52)/b42-38+/t46-,47+/m1/s1
• InChIKey: UGXMIJNTDRLPDS-ODNBOWEJSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 813.0±65.0°C at 760 mmHg (Cal.)
• Flash point: 445.5±34.3°C (Cal.)
• Refractive index: 1.493 (Cal.)