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Thiamine pyrophosphate

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Identification
Molecular formula
C12H19N4O7P2S
CAS number
154-87-0
IUPAC name
[[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
State
State

The compound is in a solid state at room temperature. It is generally stable under recommended storage conditions.

Melting point (Celsius)
46.00
Melting point (Kelvin)
319.20
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
425.33g/mol
Molar mass
425.3290g/mol
Density
1.4500g/cm3
Appearence

Thiamine pyrophosphate appears as a white or off-white crystalline powder. It is hygroscopic, meaning it can absorb moisture from the environment. The compound is generally odorless.

Comment on solubility

Solubility of the Compound

The compound named 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl hydrogen phosphate is characterized by its complex structure which influences its solubility in various solvents. Generally speaking, the solubility of such multi-functional organic compounds can be impacted by several key factors:

  • Polarity: The presence of hydroxyl groups (–OH) and phosphate moieties typically enhances the solubility of the compound in polar solvents, such as water.
  • Hydrogen Bonding: The ability of the compound to form hydrogen bonds may facilitate greater solubility in aqueous solutions, particularly due to interactions with solvent molecules.
  • Ionization: The hydrogen phosphate group can undergo ionization in solution, which can improve solubility by allowing interactions with water molecules, making it more hydrophilic.
  • Temperature Effects: As temperature increases, the solubility of many compounds can also increase due to enhanced molecular movement and interaction.

Given the complexity of the compound's structure, it's important to note that the actual solubility can vary significantly based on the specific conditions, such as pH and the presence of other ions in the solution. Therefore, conducting empirical measurements is essential to determine precise solubility levels.

In summary, while the detailed interactions suggest a good potential for solubility due to hydrophilic characteristics, experimental data will ultimately confirm the effectiveness of these theoretical predictions.

Interesting facts

Interesting Facts about 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl Hydrogen Phosphate

This fascinating compound is a prime example of how complex organic structures can play vital roles in biological systems and pharmaceutical applications. Here are some intriguing aspects to consider:

  • Biological Relevance: The presence of pyrimidine and thiazole rings is significant because these structures are often found in an array of biologically active molecules. They are known to participate in crucial biochemical pathways.
  • Medicinal Chemistry: Compounds like this one can be important in drug design. The unique combination of functional groups, including phosphates, may enhance biological activity or modulatory effects in vivo.
  • Dual Role of Phosphate Groups: Phosphate groups are not only critical in energy transfer (as in ATP) but also in the regulation of cellular activities. The phosphoryl moieties in this compound may influence enzyme activity or receptor interactions.
  • Structure-Activity Relationship: Altering individual components of this compound can lead to a variety of biological responses. This property is invaluable in the development of targeted therapies, allowing chemists to optimize compounds for maximal efficacy.
  • Potential Research Implications: Exploring compounds with intricate structures like this can lead to breakthroughs in understanding disease mechanisms or developing new therapeutic agents.

In summary, the complexity of 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl hydrogen phosphate reflects the diverse biochemical capabilities inherent in its structure. As research continues to unfold, compounds like this will undoubtedly shed light on innovative approaches to pharmaceuticals and biological sciences.