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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] hydrogen phosphate
State
State

At room temperature, thiamine pyrophosphate is a solid. It is stabilized as its diphosphate salt in this form.

Melting point (Celsius)
250.00
Melting point (Kelvin)
523.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
424.31g/mol
Molar mass
424.3060g/mol
Density
1.3500g/cm3
Appearence

Thiamine pyrophosphate appears as a white crystalline powder. It is odorless and typically exists in the form of its salts, possessing good solubility in water but not in organic solvents.

Comment on solubility

Solubility Insights for C12H19N4O7P2S

The compound [2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] hydrogen phosphate showcases some interesting solubility characteristics, reflecting the complexity of its structure and functional groups.

Factors Influencing Solubility

The solubility of this compound can be influenced by various factors:

  • Polar Functional Groups: Presence of phosphoryl and hydroxyl groups greatly increases hydrophilicity, enhancing solubility in polar solvents such as water.
  • Complex Structure: The thiazolium and pyrimidinyl moieties can interact with the solvent, but may also lead to steric hindrance, potentially limiting solubility.
  • pH Sensitivity: Being a phosphoric acid derivative, solubility might vary with changes in pH due to protonation or deprotonation of its functional groups.

General Solubility Profile

Although exact solubility data may vary, we can generally assert that:

  • This compound is expected to be soluble in water due to the presence of polar groups.
  • It may show different solubility behavior in organic solvents, depending on their polarity.
  • Thermal stability could also play a role in its solubility at elevated temperatures.

In conclusion, exploring the solubility of this compound unveils a fascinating interplay between its structural intricacies and the physicochemical environment it encounters. Understanding these aspects is crucial for its practical applications in various scientific fields.

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] hydrogen phosphate

This complex compound is noteworthy for several reasons, revealing fascinating aspects of its structure and potential applications. Here are a few highlights:

  • Multi-Functional Group Composition: The compound contains a variety of functional groups, including pyrimidine, thiazolium, and phosphate moieties. This combination may contribute to versatile reactivity in biochemical settings.
  • Biological Significance: Compounds featuring pyrimidine are essential in biological processes. For instance, pyrimidines are key components in nucleic acids, which are critical for genetic information storage and transmission.
  • Potential Therapeutic Applications: The thiazolium ring present in this compound has been studied for its potential in medicinal chemistry, particularly in designing pharmaceuticals that can inhibit certain enzymes or interact with biological targets.
  • Phosphorylation and Bioactivity: The presence of phosphate groups is vital for many biological reactions, playing a pivotal role in cellular signaling and metabolism. These groups can impact the compound’s ability to participate in enzymatic reactions, potentially enhancing its bioactivity.

From a synthetic perspective, the formation of this compound poses interesting challenges and opportunities. Scientists may explore various methods for its synthesis, focusing on optimizing yields and purity.

In the words of renowned chemist Linus Pauling, “The best way to have a good idea is to have a lot of ideas.” This compound certainly exemplifies that philosophy, combining multiple elements into an intriguing structure that can inspire future research avenues.

Overall, 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] hydrogen phosphate stands as a testament to the creativity and complexity found within the realm of chemical compounds.

Synonyms
thiamin pyrophosphate
136-09-4
thiamin diphosphate
thiamine(1+) diphosphate(1-)
thiamine diphosphate
[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] hydrogen phosphate
EINECS 205-230-7
thiamine(1+) diphosphate
CHEBI:45931
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosph
2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl dihydrogen diphosphate
Co-Zymase II
(2-(3-((4-amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-1,3-thiazol-3-ium-5-yl)ethoxy-hydroxyphosphoryl) hydrogen phosphate
(2-(3-((4-amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-1,3-thiazol-3-ium-5-yl)ethoxy-oxidophosphoryl) hydrogen phosphate;hydron
[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidophosphoryl] hydrogen phosphate;hydron
2-(3-((4-amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl dihydrogen diphosphate
2-(3-((4-amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl phosphono phosphate
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono phosphate
3-((4-imino-2-methyl-3h-pyrimidin-5-yl)methyl)-4-methyl-5-(2-((phosphono phosphonato)oxy)ethyl)-1,3-thiazol-3-ium
3-[(4-imino-2-methyl-3h-pyrimidin-5-yl)methyl]-4-methyl-5-{2-[(phosphono phosphonato)oxy]ethyl}-1,3-thiazol-3-ium
3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-(diphosphooxy)ethyl)-4-methyl-1,3-thiazol-3-ium
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(diphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium
thiamine diphosphoric acid
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, hydroxide, inner salt, P,P'-dioxide
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, inner salt
THIAMIN diphosphoric acid
Thiamin pyrophosphoric acid
Thiamine pyrophosphoric acid
SCHEMBL249346
Thiamine(1+) diphosphoric acid(1-)
DB01987
EN300-19628743
Q27093081
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(hydrogen phosphonatooxy)(hydroxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium