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Coenzyme A

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Identification
Molecular formula
C21H36N7O16P3S
CAS number
85-61-0
IUPAC name
5-[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]-3-hydroxy-3-methyl-5-oxo-pentanoic acid
State
State

At room temperature, Coenzyme A is typically in a solid state. It can be found in the form of a powder or crystals, which are often colorless to off-white.

Melting point (Celsius)
0.00
Melting point (Kelvin)
0.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
767.55g/mol
Molar mass
767.5490g/mol
Density
1.2500g/cm3
Appearence

Coenzyme A typically appears as a white to off-white powder. It may also appear as a colorless crystalline solid depending on its level of hydration and purity.

Comment on solubility

Solubility of 5-[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]-3-hydroxy-3-methyl-5-oxo-pentanoic acid

The solubility of the compound with the formula C21H36N7O16P3S is notably influenced by its intricate structure and functional groups. Here are some key considerations regarding its solubility:

  • Polar Functional Groups: The presence of multiple phosphate groups, along with hydroxyl groups and amino groups, suggests that this compound is likely to exhibit high polarity. Compounds with polar functional groups tend to have increased solubility in polar solvents such as water.
  • Hydrophilic vs. Hydrophobic Balance: While the compound contains hydrophilic parts, such as the aminopurine and phosphate groups, the presence of larger hydrophobic portions might reduce its overall solubility in water. This implies a complicated balance that may dictate solubility behavior.
  • Potential for Salt Formation: Due to the presence of amino groups, the compound could potentially form salts with acids. This can enhance solubility, especially in aqueous solutions, making it more bioavailable.
  • Environmental Factors: Factors such as temperature and pH can significantly influence solubility. It is important to consider how changes in these conditions might alter solubility dynamics.

In summary, while the multifaceted structure indicates a potential for good solubility in polar solvents, actual solubility will depend on specific environmental conditions and interactions with other substances. Overall, understanding these solubility traits is essential for applications involving this compound.

Interesting facts

Interesting Facts about 5-[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]-3-hydroxy-3-methyl-5-oxo-pentanoic acid

This compound is a fascinating example of a complex organic molecule, heavily characterized by its rich structure and diverse functional groups. Here are some interesting aspects:

  • Biological Significance: The presence of an aminopurine moiety suggests potential applications in the field of biochemistry, especially as a nucleotide analog. Compounds like this may play a role in DNA and RNA synthesis or metabolism.
  • Phosphorylation: This compound contains multiple phosphoryl groups in its structure, indicating that it may participate in phosphorylation reactions, which are critical in cellular signaling and energy transfer.
  • Sulfhydryl Group: The inclusion of a sulfhydryl (-SH) group hints at potential reactivity in biochemical processes, as thiols can form disulfide bonds, influencing protein structure and function.
  • Accessibility: The presence of hydroxy groups in the structure underscores the possibility of strong interactions with biological systems, potentially enhancing solubility and reactivity.
  • Research Implications: As a compound with such complex functionalities, it may serve as a valuable subject in medicinal chemistry research, particularly in designing new drugs or therapies targeting specific diseases.

In summary, this compound embodies the intricate interplay between structure and function in molecular chemistry. Understanding its reactivity and biological implications can pave the way for innovative research and applications.

Synonyms
HMG-CoA
1553-55-5
S-(Hydrogen 3-hydroxy-3-methylglutaryl)coenzyme A
Coenzyme A, S-(hydrogen 3-hydroxy-3-methylpentanedioate)
SCHEMBL4358590
3-Hydroxy-3-methylglutaryl CoA
SCHEMBL22277142
CABVTRNMFUVUDM-UHFFFAOYSA-N
BAA55355
DL-3-Hydroxy-3-methylglutaryl coenzyme A
PD022239
NS00120598
Coenzyme A, S-(hydrogen 3-hydroxy-3-methylglutarate)