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Acetyl Coenzyme A

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Identification
Molecular formula
C23H38N7O17P3S
CAS number
72-89-9
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] ethanethioate
State
State
Acetyl Coenzyme A is typically found as a solid at room temperature.
Melting point (Celsius)
195.00
Melting point (Kelvin)
468.15
Boiling point (Celsius)
500.00
Boiling point (Kelvin)
773.15
General information
Molecular weight
809.57g/mol
Molar mass
809.5700g/mol
Density
1.0800g/cm3
Appearence

Acetyl Coenzyme A is typically a white to slightly off-white crystalline powder. It is moisture sensitive and should be stored in a desiccator.

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] ethanethioate (C23H38N7O17P3S)

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] ethanethioate is influenced by several factors due to its complex structure. Here are some key points:

  • Polarity: The numerous hydroxyl (-OH) and phosphoryl groups in the molecule contribute to its high polarity, which typically increases solubility in polar solvents such as water.
  • Ionic Interactions: The presence of phosphate groups suggests that the compound can engage in ionic interactions, enhancing its solubility in aqueous solutions, particularly at physiological pH levels.
  • Hydrogen Bonding: The potential for hydrogen bonding due to -NH and -OH groups can facilitate solubility through solvation processes.
  • Solvent Choice: The compound may be less soluble in non-polar solvents due to its polar nature, highlighting the importance of selecting the correct solvent for achieving desired concentrations in laboratory settings.

In summary, the solubility of this compound is expected to be relatively high in polar solvents, particularly water, owing to its structural features that promote hydration and interaction with solvent molecules. As with many biochemical compounds, understanding its solubility properties is crucial for applications in drug delivery and formulation.

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] ethanethioate

This compound is a remarkable example of a complex organic molecule, integrating multiple functional groups that contribute to its biological activity. Here are some notable points:

  • Diverse Functionalities: The compound features an array of functional groups, including amino, hydroxy, and phosphonooxy groups, which can enhance its reactivity and ability to interact with various biological targets.
  • Potential Applications: Compounds of this nature are often investigated for their roles in drug development, particularly in fields like cancer research and biotechnology, owing to their intricate structures that could facilitate specific interactions with biomolecules.
  • Biological Importance: The presence of the aminopurine moiety suggests potential applications in nucleic acid chemistry or as a base for drug design aimed at targeting specific enzymes or receptors.
  • Phosphorylation Sites: The phosphonate and phosphate groups may play a critical role in biological signaling processes, acting as key players in metabolic pathways.
  • Structural Complexity: This compound's structure reflects a high level of complexity, which can be both a challenge and an opportunity in synthetic and medicinal chemistry.

In the words of a renowned chemist, "The beauty of chemistry lies in unraveling the mysteries of compounds, each pathway leading to new discoveries." Such intricate compounds not only capture the attention of researchers but also open the door to understanding their multifaceted roles in life sciences.

As a prospective chemist, studying compounds like this can offer valuable insights into molecular interactions and the essential nature of structural mechanics in biological systems.

Synonyms
Acetyl CoA
Acetyl coenzyme A sodium salt
102029-73-2
Acetyl-CoenzymeA
SCHEMBL822955
DTXSID00861618
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-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate