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Coenzyme A

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Identification
Molecular formula
C21H36N7O16P3S
CAS number
85-61-0
IUPAC name
3-[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]ethylsulfanyl]-2-methyl-3-oxo-propanoic acid
State
State

Coenzyme A is typically in a solid state at room temperature. Due to its hygroscopic nature, it is often handled in a desiccated environment to prevent moisture absorption.

Melting point (Celsius)
106.00
Melting point (Kelvin)
379.10
Boiling point (Celsius)
160.00
Boiling point (Kelvin)
433.10
General information
Molecular weight
767.53g/mol
Molar mass
767.5340g/mol
Density
1.1600g/cm3
Appearence

Coenzyme A typically appears as a white to off-white powder. It is hygroscopic and tends to absorb moisture from the air. Its state and appearance are critical for its stability and handling during biochemical applications.

Comment on solubility

Solubility of 3-[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]ethylsulfanyl]-2-methyl-3-oxo-propanoic acid

The compound with the formula C21H36N7O16P3S presents a complex structure with multiple functional groups, which significantly influences its solubility characteristics. Understanding the solubility of such a compound is crucial for various applications. Here are a few key points regarding its solubility:

  • Hydrophilicity: The presence of numerous phosphate groups and amino functionalities suggests that the compound is likely to be highly soluble in polar solvents, particularly water.
  • Solvent Dependence: The solubility can vary dramatically based on the solvent used, as compounds with both hydrophilic and hydrophobic regions often display different solubility behaviors in different environments.
  • Temperature Influence: It is expected that increasing the temperature may enhance solubility, as higher temperatures typically promote the dissolution process of such complex compounds.
  • pH Sensitivity: Given the acidic nature of some functional groups, the solubility may also be affected by the pH of the solution, altering ionization states and thereby impacting solubility.

In conclusion, while the detailed solubility profile may require empirical testing under various conditions, the structural characteristics suggest a potential for high solubility in polar media, influenced by temperature and pH. This highlights the intricate interplay between molecular structure and solubility behavior.

Interesting facts

Exploring the Compound: 3-[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]ethylsulfanyl]-2-methyl-3-oxo-propanoic acid

This compound is a fascinating example of a complex organic molecule with potential significance in the fields of biochemistry and medicinal chemistry. Here are some intriguing aspects about this compound:

  • Biochemical relevance: The presence of 6-aminopurine suggests this compound may interact with nucleic acids, potentially influencing cellular processes.
  • Phosphoryl groups: This molecule contains multiple phosphoryl (–PO4) groups, which are critical in energy transfer and signaling in biological systems.
  • Structural complexity: With its multiple functional groups, including hydroxy and sulfanyl moieties, this compound exemplifies the intricate design nature provides, making it a good candidate for studying structure-activity relationships.
  • Potential therapeutic uses: The combination of amino acids and phosphoryl groups may culminate in biological activities that warrant investigation for pharmaceutical applications, particularly in targeting metabolic pathways.
  • Research implications: Understanding how this compound interacts with biological macromolecules could lead to advancements in drug design and the development of new therapeutic agents.

In conclusion, this chemically rich compound could serve as a potent tool for further studies in the intricate world of biochemistry. The motley integration of functional groups not only amplifies its chemical diversity but also hints at a promising role in future scientific explorations.

Synonyms
10251-08-8
methylmalonyl-coenzyme A
Coenzyme A, S-(hydrogen methylpropanedioate)
SCHEMBL12934617
DTXSID80869435
Methylmalonyl CoA; (Acyl-CoA); [M+H]+;
NS00123650