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Acetyl-CoA

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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] 2-methyl-3-oxo-butanethioate
State
State

At room temperature, Acetyl-CoA is generally found as a solid.

Melting point (Celsius)
-70.60
Melting point (Kelvin)
202.60
Boiling point (Celsius)
-42.60
Boiling point (Kelvin)
230.50
General information
Molecular weight
809.56g/mol
Molar mass
809.5640g/mol
Density
1.4900g/cm3
Appearence

Acetyl-CoA is generally a colorless to white crystalline solid. It can also be found as a powder, and it is very hygroscopic, meaning it will absorb moisture from the air quite rapidly.

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] 2-methyl-3-oxo-butanethioate

The solubility of 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] 2-methyl-3-oxo-butanethioate (C23H38N7O17P3S) can be quite intricate due to its complex structure. The solubility characteristics are influenced by several factors:

  • Polarity: The presence of multiple functional groups, such as phosphates and hydroxyls, suggests that this compound may exhibit significant polarity, which could enhance solubility in polar solvents like water.
  • Hydrogen Bonding: These functional groups can engage in hydrogen bonding with solvent molecules, potentially leading to higher solubility in aqueous media.
  • Steric Hindrance: The bulkiness of the tetrahydrofuran ring and other substituents may introduce steric hindrance, possibly affecting the molecule's interactions with solvents.
  • Temperature Sensitivity: Solubility may also vary with temperature; generally, increased temperature can enhance solubility for many compounds.
  • pH Dependence: As a compound that may ionize, solubility could vary significantly depending on the pH of the solution.

In summary, while the multifunctional character gives 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] 2-methyl-3-oxo-butanethioate the potential for high solubility in polar environments, its actual solubility must be assessed experimentally due to the interplay of various factors."

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] 2-methyl-3-oxo-butanethioate

This compound, while complex in its structure, represents a fascinating intersection of biochemistry and medicinal chemistry. Here are some intriguing aspects:

  • Nucleic Acid Interaction: Its structure features a 6-aminopurine moiety, indicative of potential interactions with nucleic acids, which positions it as a candidate for studying genetic material manipulation.
  • Phosphonates: The phosphonate groups in the molecule suggest possible applications in drug design, particularly as antiviral agents or in inhibiting bacterial growth due to their ability to mimic natural substrates.
  • Bioavailability: The incorporation of a tetrahydrofuran ring enhances the bioavailability of the compound, making it more likely to be effectively absorbed in biological systems.
  • Research Potential: Researchers are currently investigating similar compounds for their roles in cancer therapy, where specific targeting of cancer cells can be achieved through the structural design of such molecules.
  • Complex Structure: This compound exemplifies the complexity possible in synthetic organic chemistry, showcasing intricate connections and functional groups that serve various biological roles.

In summary, 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] 2-methyl-3-oxo-butanethioate is a testament to the intricacies and potential implications of advanced chemical synthesis in modern science. As research continues, it could reveal new pathways for therapeutic innovations.

Synonyms
alphamethylacetoacetyl CoA
SCHEMBL4368659
DTXSID60863931
NS00123748
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} 2-methyl-3-oxobutanethioate