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Coenzyme A

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Identification
Molecular formula
C21H36O16N7P3S
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] 3,7,11,15-tetramethylhexadecanethioate
State
State

Coenzyme A is generally encountered as a solid powder at room temperature. It is highly soluble in water, forming a clear solution.

Melting point (Celsius)
-20.00
Melting point (Kelvin)
253.15
Boiling point (Celsius)
407.25
Boiling point (Kelvin)
680.40
General information
Molecular weight
767.54g/mol
Molar mass
767.5390g/mol
Density
1.0900g/cm3
Appearence

The compound is a yellow oil when pure. In its solid form, it may appear as a yellow powder or crystalline substance, depending on the method of purification and crystallization.

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] 3,7,11,15-tetramethylhexadecanethioate

The compound with the chemical formula C21H36O16N7P3S is a complex molecule exhibiting specific solubility characteristics. The solubility of chemical compounds can often be influenced by their structural attributes and functional groups present within the molecule.

Key Factors Affecting Solubility:

  • Polarity: The presence of multiple hydroxyl groups and phosphate esters tends to increase polarity, which may enhance solubility in polar solvents such as water.
  • Hydrophobic Regions: The long hydrocarbon chains may impart hydrophobic characteristics, potentially decreasing solubility in aqueous environments but increasing solubility in organic solvents.
  • Hydrogen Bonding: Functional groups capable of hydrogen bonding can lead to increased interactions with solvent molecules, further influencing solubility.
  • pH Sensitivity: Due to the presence of amino and phosphate groups, solubility can vary with pH, as ionization states alter in different pH conditions.

In summary, the solubility of this compound is expected to be influenced by a delicate balance between its polar and nonpolar regions. Those studying this compound should consider conducting empirical solubility tests to ascertain its behavior in various solvents and conditions. As a general observation within the realm of chemical solubility, "like dissolves like" serves as an essential guideline, making it imperative to analyze the chemical environment when evaluating the solubility of such intricate compounds.

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] 3,7,11,15-tetramethylhexadecanethioate

This complex compound is a fascinating example of how diverse and intricate biochemical molecules can be. Its structure hints at a rich biochemical functionality, playing vital roles in various biological processes. Here are some intriguing aspects of this compound:

  • Biological Significance: The presence of the 6-aminopurine unit, which is a purine base, suggests potential involvement in nucleic acid interactions or signaling pathways.
  • Phosphorylation Sites: The multiple phosphate groups incorporated into the structure could facilitate energy transfer or act as signaling molecules in cellular processes.
  • Complexity: This compound exemplifies the complexity of biochemical drugs and biomolecules, showcasing a delicate balance of structure that can dictate function within living organisms.
  • Applications: Due to its structure, it may possess pharmaceutical properties, potentially being useful in drug formulations that target specific pathways in cells.
  • Research Potential: Compounds like this are often the subject of extensive research, as understanding their mechanisms can lead to breakthroughs in treatments for diseases at the molecular level.

As one dives deeper into the chemistry of this compound, it becomes clear that every atom and bond plays a critical role, demanding a thorough investigation to unlock its full potential and applications in science and medicine.

Synonyms
[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-[(3S,7S,11R)-3,7,11,15-tetramethylhexadecanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
146622-45-9
PD049346
Phytanoyl-coenzyme A; (Acyl-CoA); [M+H]+;