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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] 3-oxobutanethioate
State
State

At room temperature, Acetyl-CoA is typically in a solid state, primarily as a powder that's stable under room conditions. It is essential in biochemical pathways, thus often found in solution form as well for enzymatic reactions.

Melting point (Celsius)
156.00
Melting point (Kelvin)
429.15
Boiling point (Celsius)
500.00
Boiling point (Kelvin)
773.15
General information
Molecular weight
809.57g/mol
Molar mass
809.5740g/mol
Density
1.3150g/cm3
Appearence

Acetyl-CoA is a coenzyme notable for its significant role in the metabolism of carbohydrates and fatty acids. It is a colorless compound typically found within the cellular environments.

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] 3-oxobutanethioate (C23H38N7O17P3S)

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] 3-oxobutanethioate exhibits unique solubility characteristics worthy of exploration. Given its complex organic structure along with multiple polar functional groups, its solubility profile can be analyzed as follows:

  • Water Solubility: The presence of phosphate groups and amino functionalities suggests that the compound may have good solubility in polar solvents like water.
  • Non-Polar Solvents: Due to its large non-polar hydrocarbon segments, solubility in non-polar solvents is likely limited.
  • pH Dependency: The solubility might vary with pH levels, particularly due to the ionic nature of some of its groups, which could become protonated or deprotonated.
  • Temperature Impact: As with many organic compounds, increased temperature can enhance solubility for this compound due to kinetic factors.

In essence, the solubility of this compound is influenced by its intricate mixture of polar and non-polar regions. This amalgamation highlights the significance of solvent interactions, making it crucial to conduct experimental solubility tests under various conditions to determine its behavior conclusively.

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] 3-oxobutanethioate

This fascinating compound is rich in structural complexity and biological significance, primarily owing to its unique integration of diverse functional groups. Here are some engaging highlights:

  • Biochemical Relevance: The compound contains an amino purine base, which is structurally similar to adenine, a key component of nucleic acids. This may suggest potential applications in molecular biology and biochemistry.
  • Phosphorylation Sites: The multiple phosphoryl groups present indicate a strong interaction with biological systems, especially in signaling pathways and energy transfer. Phosphorylation is critical in regulating many cellular processes.
  • Potential Therapeutic Uses: Given its structural features, it might play a role in developing therapeutics targeting specific diseases, particularly those that involve nucleotide synthesis or metabolic regulation.
  • Complex Functional Groups: The compound incorporates a range of functional groups such as thioates, hydroxyls, and methoxy groups. These functionalities can lead to a variety of chemical reactivity, making this compound a candidate for further synthetic modification.
  • Synthesis Inspiration: The intricate design might inspire chemists to explore novel pathways for the synthesis of similarly complex compounds. This could have implications for material science and drug design.

As a chemistry student or scientist delving into this compound, one can appreciate the intricate relationship between structure and function. Studying compounds like this one not only broadens our understanding of chemical diversity but also holds the potential for groundbreaking advancements in scientific research!

Synonyms
1420-36-6
3-oxobutanoyl-CoA
acetoacetyl-coenzyme a
S-Acetoacetate Coenzyme A
SCHEMBL4368632
SCHEMBL24800603
DTXSID80862663
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} 3-oxobutanethioate