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] hexanethioate
State
State

At room temperature, Coenzyme A is a solid. It is usually stored as a crystalline powder and is very sensitive to hydrolysis, so it is often kept in a dry and cold environment.

Melting point (Celsius)
140.00
Melting point (Kelvin)
413.15
Boiling point (Celsius)
120.00
Boiling point (Kelvin)
393.15
General information
Molecular weight
767.54g/mol
Molar mass
767.5370g/mol
Density
1.0837g/cm3
Appearence

Coenzyme A appears as a slightly yellow, crystalline solid. It is typically found in a hydrated form and may appear as a white powder when dry. It is soluble in water due to the presence of various hydrophilic functional groups within its structure.

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] hexanethioate

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] hexanethioate (C21H36N7O16P3S), is influenced by several factors, primarily its complex molecular structure and the presence of various functional groups. Here are some key points regarding its solubility:

  • Hydrophilicity vs. Hydrophobicity: The compound contains multiple hydroxyl (-OH) and phosphorus (-P) groups, which impart a degree of hydrophilicity. This characteristic generally enhances solubility in polar solvents like water.
  • Potential Solvent Interactions: The compound likely demonstrates improved solubility in aqueous environments due to hydrogen bonding associations with water molecules.
  • Influence of Structural Components: The presence of an aromatic base (aminopurine) may introduce some hydrophobic character, potentially complicating solubility in purely aqueous systems.
  • pH Dependence: Solubility could vary significantly with the pH of the solution, as the protonation state of the nitrogen atoms affects solubility, especially in biological contexts.

In summary, while the compound displays certain traits suggesting it may be soluble in polar solvents, particularly water, its actual solubility profile would necessitate empirical testing under varied conditions to yield a comprehensive understanding. As always, “The devil is in the details” when it comes to predicting solubility characteristics in complex molecules.

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] hexanethioate

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] hexanethioate is a fascinating example of a complex organic molecule, primarily recognized for its role in biochemical processes. Here are some intriguing insights:

  • Complex Structure: The compound showcases an intricate architecture with multiple functional groups, making it a prime candidate for various biochemical interactions.
  • Biological Relevance: As a derivative involving purine, it is associated with nucleic acid metabolism, reminding us of the critical roles nucleotides play in biological systems.
  • Phosphorylation Insights: The presence of phosphoryl groups indicates potential for signaling pathways. Phosphorylation is an essential regulatory mechanism in cells, influencing numerous cellular functions.
  • Potential Applications: Given its intricate structure, this compound may have applications in drug development, specifically in designing compounds that target metabolic pathways.
  • Research Potential: Compounds with such complex multi-domain structures offer a wealth of information regarding synthesis methods and potential pharmaceutical benefits.

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] hexanethioate serves as a spotlight on the endless possibilities that complex organic compounds hold in advancing both scientific knowledge and practical drug development. As noted by chemists, "Understanding the structure-function relationship in such compounds can lead to groundbreaking discoveries."

Synonyms
SCHEMBL11940278
DTXSID50863485
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} hexanethioate