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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] 4-hydroxybenzenecarbothioate
State
State

Coenzyme A exists as a solid at room temperature.

Melting point (Celsius)
229.00
Melting point (Kelvin)
502.15
Boiling point (Celsius)
212.00
Boiling point (Kelvin)
485.15
General information
Molecular weight
767.54g/mol
Molar mass
767.5400g/mol
Density
1.2750g/cm3
Appearence

Coenzyme A usually appears as a solid at room temperature. It is typically a white, crystalline powder. Its appearance can be obscured if in solution or mixed with other compounds, but in its pure form, it is identifiable by this white, powdery characteristic.

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] 4-hydroxybenzenecarbothioate

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] 4-hydroxybenzenecarbothioate (C21H36N7O16P3S) is particularly interesting due to its complex structure and the presence of functional groups that influence its interactions with solvents.

Key factors affecting its solubility include:

  • Hydrophilicity: The numerous hydroxyl (-OH) and phosphonooxy groups likely enhance its solubility in polar solvents, such as water.
  • Hydrophobic regions: The presence of carbon chains could contribute to varying degrees of solubility, especially in non-polar solvents.
  • pH sensitivity: The ionization state of the molecule may change with pH, affecting solubility; as such, it is relevant to consider the solution pH when discussing solubility.

As a result, this compound may demonstrate variable solubility across different solvents. A thorough investigation, particularly through laboratory solubility tests, would yield concrete data to quantify its solubility characteristics in particular solvents and under varying conditions.

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] 4-hydroxybenzenecarbothioate

This complex organic compound, an intricate member of the class of phosphonates, has garnered interest due to its multifaceted chemical structure and potential applications. Here are some engaging aspects to consider:

  • Biological Relevance: The presence of 6-aminopurine within its structure suggests potential interactions within biological systems, especially considering purines play a crucial role in cellular biology.
  • Functional Groups: This compound features a plethora of functional groups, including phosphonates, hydroxyls, and thiolates, which increases its reactivity and potential for diverse applications.
  • Therapeutic Potential: Given its rich functional backbone, there is a promising avenue for therapeutic development, particularly in medicinal chemistry where formulations derived from complex organic compounds can lead to innovative drug designs.
  • Intermolecular Interactions: The multiple phosphonate groups allow for strong intermolecular interactions making it an essential candidate for investigations in chemical biology and bio-organic studies.
  • Unique Stereochemistry: The stereochemical attributes of this compound may contribute to its biological activity, emphasizing the importance of chirality in drug development.

As professionals in the field of chemistry or aspiring students, it is crucial to delve deeper into the significance of such compounds. Understanding not just their structure, but also their potential applications can lead to breakthroughs in various scientific disciplines.

In the words of a noted scientist, "The synthesis and study of complex molecules unlock the door to countless possibilities in the realm of science."

Synonyms
DTXSID80865391
PD042967
4-Hydroxybenzoyl-coenzyme A; (Acyl-CoA); [M+H]+;
S-{1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 4-hydroxybenzene-1-carbothioate