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Aspirin Thioester

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Identification
Molecular formula
C21H27NO8S
CAS number
90729-43-6
IUPAC name
2-[(2R,5R)-3,4,5-trihydroxy-6-[2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate
State
State

At room temperature, this compound is a solid.

Melting point (Celsius)
138.00
Melting point (Kelvin)
411.15
Boiling point (Celsius)
399.60
Boiling point (Kelvin)
672.75
General information
Molecular weight
421.50g/mol
Molar mass
421.5010g/mol
Density
1.4700g/cm3
Appearence

The compound typically appears as a crystalline solid with a white to off-white coloration, often used in various pharmaceutical formulations.

Comment on solubility

Solubility Analysis of 2-[(2R,5R)-3,4,5-trihydroxy-6-[2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate

The solubility of the compound 2-[(2R,5R)-3,4,5-trihydroxy-6-[2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate, denoted by its complex nature, can be influenced by several factors. Understanding its solubility provides insight into potential applications and biological interactions.

Key Factors Affecting Solubility

  • Polarity: The presence of multiple hydroxyl groups - specifically the -OH groups - hints at increased polarity, potentially enhancing solubility in polar solvents like water.
  • Functional Groups: The methoxy and amino functionalities may contribute to hydrogen bonding and affect the overall solubility profile.
  • Hydrophobic Regions: Parts of the molecule, such as the tetrahydropyran structure, may introduce hydrophobic characteristics, leading to decreased solubility in aqueous environments.
  • pH Sensitivity: Variations in pH could significantly impact ionization states of the functional groups, altering solubility.

General Insights

In summary, while the complex architecture of the compound suggests that it might be moderately soluble in polar solvents, its precise solubility characteristics can vary widely based on environmental conditions such as temperature and pH. Laboratory assessments and experimental procedures are essential to definitively determine solubility, as the interactions between various functional groups can lead to unexpected behaviors in solution.

Interesting facts

Interesting Facts about 2-[(2R,5R)-3,4,5-trihydroxy-6-[2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate

This compound is quite fascinating due to its intricate structure and potential applications. Here are a few captivating points:

  • Complex Stereochemistry: The presence of multiple stereocenters (2R, 5R, and 2S) in this compound illustrates the rich stereochemical diversity that can exist in organic molecules. Such stereochemistry is essential for determining the biological activity of compounds.
  • Bioactivity Potential: Compounds with similar structures often exhibit interesting biological properties, ranging from antimicrobial to anticancer activities. Ongoing research may uncover its potential therapeutic benefits, particularly in the field of drug development.
  • Natural Product Inspiration: Many compounds that resemble this one are derived from natural products. Nature often serves as an inspiration for chemists, leading to synthetic derivatives that can enhance efficacy or reduce toxicity.
  • Functional Groups Variety: The compound contains several functional groups including hydroxyl, amino, and carbonyl groups. Each of these groups can participate in chemical reactions that may lead to further modifications, enhancing its versatility in organic synthesis.
  • Applications in Material Science: Beyond pharmaceuticals, the unique characteristics of this compound may lend themselves to applications in material science, such as the development of new polymers or catalysis.

In summary, 2-[(2R,5R)-3,4,5-trihydroxy-6-[2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate serves as an excellent example of how complexity in molecular architecture can lead to a wealth of possibilities, both in academic research and practical applications.