Skip to main content

Coenzyme A

ADVERTISEMENT
Identification
Molecular formula
C21H36N7O16P3S
CAS number
85-61-0
IUPAC name
S-[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]ethyl] butanethioate
State
State
At room temperature, coenzyme A is in a solid state.
Melting point (Celsius)
280.00
Melting point (Kelvin)
553.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
767.53g/mol
Molar mass
767.5260g/mol
Density
1.4350g/cm3
Appearence

Coenzyme A typically appears as a white to off-white powder. It is a water-soluble pantetheine phosphate adenylate and contains several polar functional groups allowing it to dissolve easily in water, although as a solid, it may clump due to its hygroscopic nature.

Comment on solubility

Solubility of S-[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]ethyl] butanethioate

The solubility of S-[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]ethyl] butanethioate (C21H36N7O16P3S) can be characterized by several key factors:

  • Polarity: Due to the presence of multiple hydroxyl (-OH) and phosphonato (P=O) groups, this compound is likely to be highly polar, enhancing its solubility in polar solvents such as water.
  • Hydrogen Bonding: The hydroxyl groups can engage in hydrogen bonding with water molecules, further increasing solubility.
  • Hydrophilic Characteristics: The attachment of amino and phosphate groups contributes to a more hydrophilic nature, which is beneficial for solubility in aqueous environments.

However, it is also important to consider:

  • Temperature: Solubility can vary with temperature, typically increasing with rising temperatures for most compounds.
  • Concentration: As the concentration in solution increases, the solubility limit may be reached, leading to precipitation.

In summary, the intricate balance of polar functional groups within this compound suggests a favorable solubility profile in aqueous solutions, but practical solubility will depend on specific conditions such as temperature and concentration.

Interesting facts

Interesting Facts about S-[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]ethyl] butanethioate

This compound belongs to a class of molecules that play critical roles in biochemical processes, particularly in the fields of biochemistry and pharmaceuticals. Here are some intriguing aspects of this complex structure:

  • Biological Significance: This compound is related to nucleotides, which are the building blocks of nucleic acids. Compounds like this can impact genetic function and enzymatic reactions.
  • Multi-Functional Groups: The structure is characterized by a variety of functional groups, including phosphonate and amino groups, which suggest versatile reaction pathways and potential for diverse biological activity.
  • Therapeutic Potential: Given its intricate design, research has shown that similar compounds often exhibit properties that can be harnessed for therapeutic uses, potentially in the treatment of various diseases or disorders.
  • Drug Targeting Mechanism: The presence of amino purine and phosphate functionalities may aid in targeting specific biological pathways, making it an interesting subject for drug design studies.
  • Complexity in Synthesis: The synthesis of this compound likely involves advanced organic chemistry techniques, demonstrating the creativity and skill of chemists who work with multi-step syntheses to create such intricate molecules.

"Chemistry is not just about learning facts; it's about understanding the complexities behind those facts." This adage rings particularly true with compounds such as this, where each element and bond contributes to a broader understanding of chemical interactions and biological implications.

In summary, the compound S-[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]ethyl] butanethioate serves as an excellent example of how intricate chemical structures can offer insights into potential biological functions and therapeutic applications.

Synonyms
butyryl-CoA
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] butanethioate
SCHEMBL4367366
DTXSID70862839
NS00014819
Q42412398
S-{1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3I>>5,5I>>5-diphosphaheptadecan-17-yl} butanethioate