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Coenzyme A

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Identification
Molecular formula
C21H36N7O16P3S
CAS number
85-61-0
IUPAC name
4-[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]-4-oxo-butanoic acid
State
State

At room temperature, coenzyme A is in a solid state, generally appearing as a crystalline powder. It is stable and soluble in water.

Melting point (Celsius)
101.00
Melting point (Kelvin)
374.15
Boiling point (Celsius)
100.00
Boiling point (Kelvin)
373.15
General information
Molecular weight
767.54g/mol
Molar mass
767.5350g/mol
Density
1.4704g/cm3
Appearence

Appearance: Coenzyme A typically appears as a white to off-white powder. It is hygroscopic and stable under recommended storage conditions. Coenzyme A is also known to be water-soluble.

Comment on solubility

Solubility of 4-[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]-4-oxo-butanoic acid

The compound with the chemical formula C21H36N7O16P3S is a complex molecule characterized by the presence of multiple functional groups. The solubility characteristics of such compounds can often be intriguing and complex:

  • Hydrophilicity: The existence of several hydroxyl (-OH) and phosphate (-PO4) groups typically indicates a strong affinity for water, suggesting that this compound may exhibit significant solubility in aqueous environments.
  • Influence of Sulfur: The sulfanyl group (-S-) can introduce hydrophobic characteristics, which may partially offset solubility in water.
  • Polarity: The overall polarity of the compound significantly influences its solubility; with numerous polar groups, it is likely to dissolve well in polar solvents.
  • Concentration Dependence: Even for compounds that are generally soluble, their solubility can depend on concentration, temperature, and pH of the solvent.

While predicting the exact solubility of this compound without empirical data is challenging, the combination of hydrophilic and hydrophobic elements suggests a nuanced solubility profile. As a general observation, compounds rich in phosphates and hydroxyls tend to have enhanced aqueous solubility, important for biological and pharmaceutical applications. As with many compounds in this class, empirical solubility testing would provide the most accurate insight.

Interesting facts

Interesting Facts about 4-[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]-4-oxo-butanoic acid

This compound is a remarkable example of a complex organic molecule that incorporates various functional groups, showcasing the intricacies of chemical synthesis and design. Here are a few interesting points about it:

  • The presence of multiple **phosphoryl** groups indicates that this compound may play a significant role in biological systems, especially related to energy transfer, as phosphates are key components of nucleotides.
  • There is a notable inclusion of an aminopurine moiety which is recognizable as a part of nucleic acid structures, making it potentially relevant in studies of genetics and biochemistry.
  • With its multiple aromatic rings and amine groups, this molecule may exhibit interesting properties like drug-like characteristics, possibly interacting with biological targets or enzymes.
  • The presence of a tetrahydrofuran ring is particularly intriguing as it is commonly used as a solvent in organic chemistry and represents a vital component within the compound's structure.
  • This compound's synthesis can be quite challenging due to the delicate balance of functional groups, making it a subject of interest for students exploring organic synthesis techniques. As one researcher noted, "The complexity of synthetic pathways often reveals the beauty of chemistry, where challenges become opportunities for discovery."

Overall, 4-[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]-4-oxo-butanoic acid stands out as a multifaceted compound that connects organic synthesis, biology, and medicinal chemistry, making it an exciting topic for further investigation and application.

Synonyms
SCHEMBL4364428