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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] octanethioate
State
State

At room temperature, acetyl-CoA is a solid that is often handled in the laboratory under appropriate conditions to prevent degradation.

Melting point (Celsius)
0.00
Melting point (Kelvin)
0.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
809.02g/mol
Molar mass
809.0190g/mol
Density
1.2914g/cm3
Appearence

Acetyl-CoA typically appears as a white to off-white powder. It is often used in biochemical studies and is usually dissolved in a suitable solvent when used in laboratory settings.

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] octanethioate

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] octanethioate (C23H38N7O17P3S) can be influenced by various factors such as temperature, pH, and solvent composition. Generally, the phosphonic acid groups present in the structure can enhance the solubility in polar solvents, particularly water.

Key points regarding the solubility include:

  • The presence of multiple polar functional groups, such as hydroxyl (-OH) and phosphonooxy (-PO3H2), typically increases water solubility.
  • Hydrophobic components, such as the octanethioate moiety, may impart some degree of lipophilicity, potentially resulting in variable solubility in organic solvents.
  • Temperature elevation often facilitates dissolution, making the compound more soluble under heated conditions.

In summary, while 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] octanethioate exhibits potentially good solubility in aqueous environments, the overall solubility profile can be complex and varies significantly with changes in external conditions.

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] octanethioate

This fascinating compound is a derivative of a complex organic framework that incorporates multiple functional groups, making it a subject of interest in biochemical research. Here are some compelling facts about this molecule:

  • Biological Relevance: Its structure, which includes purine and phosphate groups, suggests a potential role in nucleic acid metabolism, possibly influencing cellular energy transfer and signaling pathways.
  • Pharmacological Interest: Due to the aminopurine moiety, this compound may exhibit properties reminiscent of nucleoside analogs, potentially acting as an effective agent against certain diseases.
  • Complexity and Diversity: The intricate arrangement of hydroxy, phosphoryl, and various other functional groups exemplifies the diverse chemical landscape found in synthetic organic chemistry, showcasing the marvel of molecular design.
  • Potential for Drug Development: With a structure that hints at the ability to interact with biological macromolecules, there is a significant interest in its potential as a lead compound in pharmaceutical applications, especially in cancer therapeutics where purine analogs are often vital.

As highlighted by chemists, "The beauty of synthetic compounds lies in their capacity to mimic or even enhance biological processes." The exploration of this compound could lead to significant advancements in medicinal chemistry and our understanding of biochemical interactions.

Overall, 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] octanethioate is not just a molecular curiosity but a potentially influential player in the field of drug discovery.

Synonyms
octanoyl-coenzyme A
capryloyl-CoA
1264-52-4
324518-20-9
SCHEMBL11940279
DTXSID50862615
c0048
NO159027
G85490
Q3348796
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} octanethioate