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Coenzyme A

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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] 3-hydroxy-2-methyl-butanethioate
State
State

Coenzyme A is typically found in a solid state at room temperature, which is often in a purified crystalline form for laboratory uses. Its hygroscopic nature may affect its solid state in ambient conditions.

Melting point (Celsius)
194.00
Melting point (Kelvin)
467.15
Boiling point (Celsius)
230.00
Boiling point (Kelvin)
503.15
General information
Molecular weight
767.54g/mol
Molar mass
767.5390g/mol
Density
1.0448g/cm3
Appearence

Coenzyme A is a colorless, viscous, and somewhat hygroscopic compound. It may form a crystalline solid when purified. As it is hygroscopic, it tends to absorb moisture from the air.

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-hydroxy-2-methyl-butanethioate

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] 3-hydroxy-2-methyl-butanethioate (C21H36N7O16P3S) presents an intriguing picture due to its complex structure.

Based on its chemical composition, we can draw some conclusions about its solubility:

  • Presence of Phosphoryl Groups: The multiple phosphoryl groups suggest high *hydrophilicity*, likely enhancing solubility in polar solvents such as water.
  • Amino Groups: The presence of amino functionalities may further contribute to *solubility*, as they can engage in hydrogen bonding with water molecules.
  • Complex Structure: The intricate arrangement of hydroxy and methoxy groups can result in variable solubility depending on the solvent and conditions used.
  • Thioate Functional Group: The thioate (S) moiety may introduce unique interactions with certain solvents, potentially aiding in specific dissolving properties.

Overall, while it is reasonable to expect that this compound is soluble in aqueous environments due to its numerous polar groups, the precise solubility may depend on various factors such as pH, ionic strength, and temperature. As the *saying goes*, "Every compound has its own story," and the solubility of this compound is no exception.

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-hydroxy-2-methyl-butanethioate

This compound is a fascinating example of the complexity and beauty of organic chemistry, particularly in the realm of phosphorylated compounds and biological materials. Here are some interesting highlights:

  • Structure Diversity: The compound features multiple functional groups, including amino, hydroxyl, and phosphono groups, all of which play vital roles in its biological activity.
  • Biological Relevance: This compound is associated with a variety of biological processes, particularly in the realms of nucleic acid metabolism and cell signaling.
  • Biochemical Applications: Due to its structural characteristics, it may function as a precursor or active agent in the synthesis of nucleotides or analogs, which are crucial for DNA and RNA synthesis.
  • Drug Development: Research into compounds like this one often leads to the discovery of new therapeutic agents for diseases related to improper metabolic processes.
  • Mechanism Insights: The presence of multiple phosphorus moieties can contribute to the understanding of phosphotransfer reactions, which are essential in numerous biochemistry pathways.

In summary, the compound is not just a collection of atoms but a potential key player in the intricate dance of biochemistry. Its multifaceted nature opens up a dialogue about future research directions and the unexplored pathways it may illuminate in drug discovery and molecular biology.

Synonyms
CID52; (Acyl-CoA); [M+H]+;
(2S,3R)-3-Hydroxy-2-methylbutanoyl-CoA