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Thiamine pyrophosphate

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Identification
Molecular formula
C12H19N4O7PS2
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] phosphono hydrogen phosphate
State
State

Thiamine pyrophosphate is typically found as a solid at room temperature due to its crystalline nature. It remains stable and effective in this state, which is preferred for storage and handling in laboratory and pharmaceutical environments.

Melting point (Celsius)
170.00
Melting point (Kelvin)
443.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
590.37g/mol
Molar mass
590.3730g/mol
Density
1.2000g/cm3
Appearence

Thiamine pyrophosphate appears as a white or almost white crystalline powder. It is often noted for being odorless and has a slight acidic, sometimes unnoticeable, taste. It is hygroscopic, meaning it can absorb moisture from the surrounding environment, which might slightly alter its appearance.

Comment on solubility

Solubility Characteristics

The compound 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate (C12H19N4O7PS2) presents a fascinating examination of solubility.

General Solubility Insights

This hybrid structure contains various functional groups which influence its interaction with solvents:

  • Amino groups are often associated with increased solubility in polar solvents due to their ability to form hydrogen bonds.
  • Thiazolium structures can enhance solubility in specific organic solvents, thanks to their electron-withdrawing properties.
  • The presence of phosphate and phosphonyl groups typically aids solubility in water, given that phosphates are known for good solvation in polar environments.

Solubility in Various Solvents

Essentially, the solubility of this compound can be expected to follow a spectrum:

  • Water: Likely to exhibit good solubility due to the phosphate groups.
  • Organic solvents: Moderate solubility possible, influenced by the thiazolium and pyrimidinyl components.
  • Acidic solutions: Enhanced solubility can be anticipated, potentially due to protonation effects.

Conclusion

In conclusion, the compound's solubility is dictated by its complex structure, which harbors functional groups that interact favorably with different solvents. Environmental factors and ionic strength may further influence its behavior in practical scenarios. The intriguing combination of solubility characteristics underscores the importance of considering molecular structure when predicting solubility in chemical research.

Interesting facts

Exploring 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl phosphono hydrogen phosphate

This intriguing compound, with a complex structure, offers numerous fascinating insights for chemists and researchers alike. Here are some key points to consider:

  • Multi-Functional Elements: The compound incorporates various functional groups, including amino, phosphoryl, and thiazolium, which can lead to diverse chemical reactivities and applications in organic synthesis.
  • Phosphorylation Potential: As a phosphorus-containing molecule, it holds considerable interest in the fields of biochemistry and molecular biology, particularly in the study of nucleotides, signaling pathways, and enzyme regulation.
  • Medicinal Chemistry: The presence of a pyrimidine moiety suggests possible anti-cancer and anti-viral properties, similar to many pharmaceutical compounds that target cellular pathways.
  • Role in Biotechnology: This compound could potentially serve as a valuable tool in drug design or as a biochemical probe, illustrating the intersection of chemistry and biology.

As renowned chemist Robert H. Grubbs once said, "The greatest breakthroughs in science often come from the synthesis of unexpected compounds." This compound embodies that spirit of discovery and innovation. Researchers continue to explore the multifaceted nature of such compounds, aiming for advancements in drug development and therapeutic applications.

In conclusion, the structural complexity and functional diversity of this compound make it a subject of ongoing research and experimentation in the scientific community, paving the way for revelations in both theoretical and practical applications.

Synonyms
Thiamine triphosphate
thiamin triphosphate
thiamine(1+) triphosphate
3475-65-8
ThTP
CHEBI:9534
[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
THIAMINE TRIPHOSPHATE [MI]
(2-(3-((4-amino-2-methyl-pyrimidin-5-yl)methyl)-4-methyl-thiazol-3-ium-5-yl)ethoxy-hydroxy-phosphoryl) phosphono hydrogen phosphate
Triphosphate, Thiamin
Triphosphate, Thiamine
Thiamin triphosphic acid
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-{2-[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]ethyl}-4-methyl-1,3-thiazol-3-ium
SCHEMBL675863
CHEMBL3307173
DTXSID90864613
DAA47565
AKOS030255120
3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-4-methyl-5-(2-tetrahydroxytriphosphoryloxy-ethyl)-thiazolium betaine
NS00122396
C03028
Q27108430
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(triphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium
50851-39-3
V4E