CAS 103348-50-1

4-Octadecene-1,3-diol, 2-azido-, 3-benzoate, (2S,3R,4E)-

Description:

4-Octadecene-1,3-diol, 2-azido-, 3-benzoate, (2S,3R,4E)-, with CAS number 103348-50-1, is a specialized organic compound characterized by its long hydrocarbon chain and functional groups that include an azido group and a benzoate moiety. The presence of the azido group (-N3) suggests potential reactivity, particularly in click chemistry applications, while the benzoate group indicates that it may have ester characteristics, influencing its solubility and reactivity. The stereochemistry denoted by (2S,3R,4E) indicates specific spatial arrangements of atoms, which can significantly affect the compound's biological activity and interaction with other molecules. This compound is likely to be of interest in fields such as medicinal chemistry, materials science, and organic synthesis, where its unique functional groups can be utilized for further chemical transformations or as intermediates in the synthesis of more complex molecules. Its long-chain structure may also impart amphiphilic properties, making it relevant in surfactant applications or as a component in lipid-based formulations.

Formula: C₂₅H₃₉N₃O₃

InChI: InChI=1S/C25H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(23(21-29)27-28-26)31-25(30)22-18-15-14-16-19-22/h14-20,23-24,29H,2-13,21H2,1H3/b20-17+/t23-,24+/m0/s1

InChI key: InChIKey=ORUYONFWESLTQS-MLQNYIGJSA-N

SMILES: [C@@H]([C@@H](N=[N+]=[N-])CO)(OC(=O)C1=CC=CC=C1)/C=C/CCCCCCCCCCCCC

Synonyms:

• 4-Octadecene-1,3-diol, 2-azido-, 3-benzoate, (2S,3R,4E)-
• 4-Octadecene-1,3-diol, 2-azido-, 3-benzoate, [R-[R*,S*-(E)]]-
• (2S,3R,4E)-2-Azido-3-O-benzoyl-4-octadecene-1,3-diol
• 4-Octadecene-1, 3-diol, 2-azido-, 3-benzoate, (2S, 3R, 4E)
• 2-azido-, 3-benzoyl-(2S,3R,4E)-4-Octadecene-1,3-diol,
• (2S,3R,4E)-2-AZIDO-3-BENZOYL-ERYTHRO-SPHINGOSINE