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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] propanethioate
State
State

Coenzyme A is typically a solid at room temperature, often described in its crystalline powder or amorphous form, depending on the method of isolation or synthesis.

Melting point (Celsius)
192.00
Melting point (Kelvin)
465.15
Boiling point (Celsius)
297.00
Boiling point (Kelvin)
570.15
General information
Molecular weight
767.54g/mol
Molar mass
767.5390g/mol
Density
1.2432g/cm3
Appearence

Coenzyme A is typically visualized as a white to off-white powder. It's a water-soluble compound and is known for its role as a carrier of acyl groups in enzymatic processes.

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] propanethioate

The solubility of the compound with the chemical formula C21H36N7O16P3S can be intricate, influenced by its structural characteristics and functional groups. Compounds containing multiple phosphate and amino groups often exhibit high solubility in polar solvents such as water due to their ability to interact with water molecules through hydrogen bonding.

Key factors affecting solubility include:

  • Functional Groups: The presence of phosphonic acid groups (-PO3H2) tends to enhance solubility as they can dissociate in aqueous solutions, creating ionic interactions.
  • Hydrogen Bonding: Hydroxy groups (-OH) can facilitate solubility by forming hydrogen bonds with solvent molecules.
  • Hydrophobic Segments: The presence of hydrophobic domains can potentially lower solubility by reducing interaction with polar solvents.

In general, the specific balance of hydrophilic and hydrophobic properties leads to the classification of such compounds as either *soluble* or *sparingly soluble*. It is important to consider the overall structure when predicting solubility behavior. As a quote in chemistry often reminds us, “Like dissolves like,” highlighting the critical nature of the molecular interactions at play.

In summary, this complex compound likely exhibits significant solubility in polar solvents due to its phosphonate and amino functional groups, coupled with caution regarding its hydrophobic features.

Interesting facts

Exploring the Unique Characteristics 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] propanethioate

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] propanethioate is an intricate compound that showcases the fascinating interplay of organic chemistry and biochemistry. Here are some notable facts:

  • Structural Complexity: This compound is a prime example of structural complexity in organic molecules, featuring an array of functional groups such as phosphono, aminopurine, and tetrahydrofuran rings.
  • Biological Significance: The presence of the 6-aminopurine moiety suggests its potential role in nucleic acid mechanisms, making it a compound of interest in both pharmacological and genetic research.
  • Enzymatic Activity: Researchers may study how enzymes interact with compounds like this, particularly focusing on phosphate group transfer and its impact on metabolic pathways.
  • Potential Therapeutics: Due to its structural features, this compound could have applications in developing new treatments for diseases related to nucleic acid metabolism or DNA repair.
  • Phosphorylation Studies: With multiple hydroxy-phosphoryl groups, it's an ideal candidate for studies on phosphorylation processes, which are critical in cell signaling and energy transfer.

In conclusion, 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] propanethioate exemplifies the depth and breadth of modern chemistry, bridging organic synthesis and biological application. It invites further exploration into its mechanisms, potential applications, and the biochemical pathways it may affect.

Synonyms
Propionoyl-CoA
SCHEMBL4368641
DTXSID90861869
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} propanethioate