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Thiamine pyrophosphate

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Identification
Molecular formula
C12H19N4O7P2
CAS number
154-87-0
IUPAC name
2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
State
State

Typically present as a solid at room temperature. Thiamine pyrophosphate is generally stable in the solid state but may decompose upon prolonged exposure to air and moisture due to its hygroscopic nature.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.00
Boiling point (Celsius)
250.00
Boiling point (Kelvin)
523.00
General information
Molecular weight
466.37g/mol
Molar mass
466.3680g/mol
Density
1.5400g/cm3
Appearence

Thiamine pyrophosphate appears as a white or off-white crystalline powder. It is hygroscopic, meaning it can readily absorb moisture from the atmosphere.

Comment on solubility

Solubility of 2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium

The solubility of the compound C12H19N4O7P2 can be characterized by several factors due to its complex structure. The presence of multiple functional groups contributes to its solubility properties:

  • Hydrophilic Groups: The compound contains hydroxyl (-OH) and phosphoryl (-PO3) groups, which generally enhance solubility in polar solvents such as water.
  • Amine Group: The inclusion of an amino (-NH2) group often improves solubility in aqueous environments; by engaging in hydrogen bonding, these groups facilitate interaction with water molecules.
  • Overall Charge: As a trimethyl ammonium compound, it has a positive charge that promotes solubility in negatively charged environments, enhancing interaction with polar solvents.

However, despite these characteristics:

  • Complex molecules may exhibit varied solubility behaviors due to steric hindrance that impedes dissolution.
  • Certain solvent types may cause precipitation if they fail to fully interact with all functional groups.

In summary, while the potential for good solubility exists due to its hydrophilic and charged nature, actual solubility must be assessed in specific solvent conditions to determine its practical applications. As with many chemical compounds, the environment and medium play crucial roles in determining the **final solubility outcomes**.

Interesting facts

Interesting Facts about 2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium

This compound is a fascinating example of a sophisticated chemical structure that exhibits significant biological activity. Here are some noteworthy points:

  • Multifunctionality: The compound functions as a phosphoramide, which implies it has versatile roles in biological systems, particularly in relation to nucleic acid metabolism.
  • Amine Group: The presence of an amino group allows for potential protein-ligand interactions, which are crucial for cellular communication and signaling.
  • Pyrimidine Derivative: Given its structure, this compound can be linked to nucleobases, making it an interesting subject in the field of genetics and pharmaceuticals, particularly in drug design for targeting specific diseases.
  • Bioavailability: Its complex structure raises considerations regarding its solubility and method of delivery in therapeutic applications, making it an excellent specimen for pharmaceutical studies.
  • Research Relevance: Compounds like this are significant in pharmacological research, potentially leading to advancements in cancer treatment and genetic therapies.

As noted by many researchers, compounds with such intricate architectures not only expand our understanding of molecular interactions but also challenge our approaches to drug development. The integration of multiple functional groups hints at the opportunities for developing targeted therapies that can navigate through the body's complex biochemical environments.

In conclusion, 2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium exemplifies the intersection of chemistry, biology, and medicine, making it a stimulating topic for further exploration and research.

Synonyms
SCHEMBL13933086
DTXSID30859568
PDSP1_001402
PDSP2_001386
PD063017
NS00015031
[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy([hydroxy(2-(trimethylammonio)ethoxy)phosphoryl]oxy)phosphinic acid
4-Amino-1-{5-O-[hydroxy({hydroxy[2-(trimethylazaniumyl)ethoxy]phosphoryl}oxy)phosphoryl]pentofuranosyl}pyrimidin-2(1H)-one