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Coenzyme A

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Identification
Molecular formula
C21H36N7O16P3S
CAS number
85-61-0
IUPAC name
2-[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]-2-oxo-acetic acid
State
State

At room temperature, Coenzyme A is typically found as a solid in powder form. It is stable in its dry form, but solutions of it are prone to degradation especially if exposed to heat or light.

Melting point (Celsius)
141.00
Melting point (Kelvin)
414.15
Boiling point (Celsius)
370.15
Boiling point (Kelvin)
643.30
General information
Molecular weight
767.54g/mol
Molar mass
767.5360g/mol
Density
1.3700g/cm3
Appearence

Coenzyme A appears as a white to off-white powder that is odorless. It is typically obtained in its sodium or lithium salt form in biochemical preparations.

Comment on solubility

Solubility of 2-[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]-2-oxo-acetic acid

The solubility of the compound with the chemical formula C21H36N7O16P3S is quite complex due to its intricate structure, characterized by multiple functional groups. Understanding solubility can be crucial for its applications, especially in pharmaceuticals and biochemistry. Here are some insights:

  • Hydrophilicity: The presence of multiple phosphate groups (–PO4) and hydroxyl (–OH) functionalities typically enhances solubility in polar solvents, particularly water.
  • Hydrophobic Interactions: Conversely, the hydrophobic segments, possibly linked to the dimethyl butanoyl moiety, may affect its overall solubility, making it less soluble in non-polar solvents.
  • pH Dependence: The solubility of this compound may vary significantly with pH due to ionization of the acidic groups present, potentially leading to increased solubility at physiological pH levels.
  • Temperature Factors: Increasing temperature can enhance the solubility of many organic compounds, and this may also hold true for this complex molecule.

In summary, while the presence of numerous polar functional groups suggests good water solubility, the overall solubility behavior of C21H36N7O16P3S is likely multifaceted, influenced by factors such as solvent polarity, pH, and temperature. As with many compounds of this nature, practical solubility testing is often essential to ascertain data that may not be readily predictable from structure alone.

Interesting facts

Interesting Facts about 2-[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]-2-oxo-acetic acid

This fascinating compound is a remarkable representative of the class of nucleotides and nucleotide analogs. Scientists have been intrigued by its complex structure, which showcases the intricate relationship between various functional groups, contributing to its biological activity.

Key Features

  • Structural Complexity: The compound contains multiple phosphoryl and amino groups, which make it a key player in bioenergetics and signal transduction.
  • Biological Significance: Due to its structural similarities with nucleotides, it may be involved in biochemical processes related to RNA and DNA synthesis.
  • Potential Applications: Research into this compound may lead to discoveries in medicinal chemistry, particularly in the development of antiviral and anticancer agents.

As a curiosity, the presence of a tetrahydrofuran ring makes this compound structurally unique among its peers. It's also worth noting that the multiple hydroxyl and amino groups can significantly influence its reactivity and solubility in biological systems.

In the words of famous chemist Linus Pauling, "The best way to have a good idea is to have a lot of ideas." Studying such complex compounds can lead to unforeseen breakthroughs in our understanding of biochemical systems and therapeutic interventions.

Overall, this compound exemplifies the beauty of chemistry, where intricate structures give rise to function, and the quest for knowledge continues to drive scientific inquiry.

Synonyms
Oxalyl-coenzyme A; (Acyl-CoA); [M+H]+;