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Coenzyme A (CoA)

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Identification
Molecular formula
C21H36N7O16P3S
CAS number
63-89-8
IUPAC name
6-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-4,6-dioxo-hexanoic acid
State
State
At room temperature, Coenzyme A is usually handled in an aqueous solution, appearing as a colorless or slightly yellow liquid.
Melting point (Celsius)
202.00
Melting point (Kelvin)
475.15
Boiling point (Celsius)
455.15
Boiling point (Kelvin)
728.30
General information
Molecular weight
767.54g/mol
Molar mass
767.5380g/mol
Density
1.1983g/cm3
Appearence
Coenzyme A is typically encountered in the body and labs as a highly charged, colorless compound. It is usually handled in solution form as it is highly hygroscopic.
Comment on solubility

Solubility of 6-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-4,6-dioxo-hexanoic acid

The compound C21H36N7O16P3S exhibits unique solubility characteristics influenced by its complex molecular structure. Here are some key points to consider:

  • Polarity: The presence of multiple functional groups, such as phosphonic acid, hydroxyls, and amines, contributes to a highly polar nature, which generally enhances solubility in polar solvents.
  • Hydrophilicity: The phosphoryl and hydroxy groups introduce strong hydrogen bonding capabilities, making the compound likely soluble in water.
  • Solvent Interaction: Its solubility may vary significantly between different solvents. For instance, it might be more soluble in aqueous environments compared to organic solvents like hexane.
  • Concentration Dependency: As the concentration of the compound increases, it may reach a saturation point where solubility decreases due to the formation of aggregates or complexes.

In summary, while the solubility of this compound can be predicted to be fairly high in polar solvents due to its hydrophilic segments, empirical testing is essential to confirm its behavior in specific conditions. Further studies might elucidate its solubility dynamics, offering vital information for its practical applications.

Interesting facts

Interesting Facts about 6-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-4,6-dioxo-hexanoic acid

This complex compound is a fascinating example of how intricate molecular structures can influence biological activity. It is particularly valued in the field of medicinal chemistry for its potential therapeutic applications. Here are some notable aspects:

  • Source of Inspiration: This compound's structure is an inspiration drawn from naturally occurring nucleotides, exemplifying how nature can guide synthetic chemistry.
  • Phosphorylation: The multiple phosphate groups within its structure highlight the significance of phosphorylation in biological systems, which plays a critical role in regulating metabolic pathways.
  • Targeting Mechanism: Due to its unique arrangement of functional groups, it may interact specifically with enzymes or receptors, pointing to a targeted therapeutic approach.
  • Potential Applications: It has been researched for applications in areas such as cancer treatment and antiviral therapies, where purine derivatives often show promise.
  • Complexity in Synthesis: The synthesis of this compound showcases the challenges chemists face when designing and executing multi-step organic syntheses, reinforcing the ingenuity required in modern chemistry.

In summary, the study of this compound not only enhances our understanding of chemical interactions but also opens avenues for the development of new pharmacological agents. As we continually uncover the potentials of such complicated molecules, one cannot help but echo the sentiment of renowned chemist Linus Pauling: "The best way to have a good idea is to have a lot of ideas." This compound serves as a reminder of the vast possibilities that exist within chemical research.

Synonyms
CID94; (Acyl-CoA); [M+H]+;