Adenosine-5'-(4-methylbenzenesulfonate)

Identification

Molecular formula

C₁₇H₁₉N₅O₆S

CAS number

3416-27-9

IUPAC name

[5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate

State

This compound is a solid at room temperature, typically existing in a crystalline form. It is stable under normal conditions of temperature and pressure, retaining its solid state unless subjected to environments surpassing its melting point.

Melting point (Celsius)

198.00

Melting point (Kelvin)

471.15

Boiling point (Celsius)

605.00

Boiling point (Kelvin)

878.15

General information

Molecular weight

409.43g/mol

Molar mass

409.4400g/mol

Density

1.4000g/cm³

Appearence

The compound typically appears as a white to off-white powder. This coloration can slightly vary depending on purity and the presence of any contaminants, but it generally maintains a solid appearance under standard conditions.

Comment on solubility

Solubility of [5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate

The solubility of the compound [5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate (C₁₇H₁₉N₅O₆S)

is an important characteristic that impacts its applications in various fields. Understanding the solubility can be facilitated by considering several key factors:

Polarity: The presence of both polar and nonpolar functional groups suggests that this compound might exhibit variable solubility in polar solvents, such as water, compared to nonpolar solvents.
Hydrogen bonding: The hydroxyl group in the tetrahydrofuran ring enhances the potential for hydrogen bonding, which may result in increased solubility in water.
Ionization: The sulfonate group can contribute to solubility in aqueous solutions due to its ability to ionize, making the compound more soluble in water due to enhanced solvation.
Temperature effects: As with many organic compounds, solubility can significantly change with temperature; typically, increased temperature can enhance solubility.

In summary, the solubility of C₁₇H₁₉N₅O₆S can be influenced by its functional groups and their interactions with solvents. Understanding these parameters is crucial in utilizing this compound in practical applications.

Interesting facts

Interesting Facts about [5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate

This fascinating compound is known for its notable role in the field of medicinal chemistry. Here are some intriguing points you might find interesting:

Biological Relevance: The structure of this compound incorporates purine derivatives, which are essential building blocks in biochemical processes. Purines play significant roles in the formation of nucleic acids, impacting DNA and RNA synthesis.
Potential Therapeutic Applications: Compounds like this one have been studied for their potential in drug development, particularly due to their interactions with cellular mechanisms. They may exhibit activities against various diseases, particularly those related to the interference of nucleic acid synthesis.
Synthetic Pathways: The synthesis of this compound involves advanced organic chemistry techniques. This showcases the innovative strategies chemists employ to create complex molecules, which can lead to the discovery of novel therapeutic agents.
Functional Groups: This compound contains numerous functional groups including an aminopurine, a tetrahydrofuran unit, and a sulfonate. Each of these contributes uniquely to the compound's properties, such as its solubility and biological activity, making them vital considerations in drug design.
Research Opportunities: The study of this compound opens up avenues for further research into its pharmacodynamics and potential side effects, as well as how modifications of its structure could enhance effectiveness.

In essence, [5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate exemplifies the intricate relationship between chemical structure and biological function. As chemists continue to unravel the secrets of its efficacy and mechanisms, the potential for discovering groundbreaking treatments grows.

Synonyms

6698-29-9

[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl 4-methylbenzene-1-sulfonate