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Thiamine diphosphate

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Identification
Molecular formula
C12H17N4O6PS2
CAS number
154-87-0
IUPAC name
2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxo-propyl)amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]ethyl]thiazol-4-yl]thiazole-4-carboxylic acid
State
State

At room temperature, thiamine diphosphate is generally in a solid state, presented as a crystalline powder.

Melting point (Celsius)
199.00
Melting point (Kelvin)
472.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
622.63g/mol
Molar mass
622.6300g/mol
Density
1.3000g/cm3
Appearence

Thiamine diphosphate, often known as thiamine pyrophosphate, typically appears as a white crystalline powder. It may also be found in the form of colorless crystals and is usually odorless. The compound can absorb moisture from the air as it is hygroscopic.

Comment on solubility

Solubility of 2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxo-propyl)amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]ethyl]thiazol-4-yl]thiazole-4-carboxylic acid

The solubility of this complex compound, C12H17N4O6PS2, can be influenced by various physicochemical factors. Here are some key points to consider:

  • Polarity: Due to its multiple functional groups, the molecule displays a mix of polar and nonpolar characteristics, which can affect solubility in different solvents.
  • Hydrophilicity: The presence of polar amino groups and hydroxyl groups enhances the likelihood of this compound being soluble in water, making it more hydrophilic.
  • pH Dependence: Changes in pH may significantly impact the compound's solubility, particularly through protonation or deprotonation of basic or acidic functional groups.
  • Solvent Choice: It is likely to be more soluble in polar solvents (such as water and methanol) compared to non-polar solvents due to its overall charge distribution.

As with many complex organic molecules, an experimental approach is often necessary to determine the precise solubility parameters and conditions. In summary, while we can predict that solubility is favorable in polar environments, the intricate structure suggests potential variability that merits detailed examination.

Interesting facts

Interesting Facts about 2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxo-propyl)amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]ethyl]thiazol-4-yl]thiazole-4-carboxylic acid

The compound known as 2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxo-propyl)amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]ethyl]thiazol-4-yl]thiazole-4-carboxylic acid is an intricate and fascinating example of modern chemical synthesis. Its lengthy and complex structure illustrates the remarkable capability of organic chemists to manipulate molecular components for desirable properties.

Here are some intriguing aspects of this compound:

  • Multi-functional nature: The compound incorporates various functional groups, including amines, carbonyls, and hydroxyls, which allow it to interact with biological systems in complex ways.
  • Therapeutic potential: The presence of amino acids and thiazole moieties suggests its potential utility in medicinal chemistry, possibly serving as a scaffold for drug development.
  • Structural complexity: Its structure is notable for including multiple layers of nitrogenous bases and sugar-like components which are characteristic of biologically active compounds.
  • Research interest: Such compounds are often subjects of scientific investigation in fields like pharmacology and biochemistry due to their potential roles in biological processes.

In the words of scientists, "The more complex the structure, the more potential it has to impact biological systems." As researchers delve into the characteristics and applications of this compound, they often find novel insights that bridge chemistry with medical advancements. Studying such compounds contributes not only to the understanding of molecular interactions but also advances therapeutic solutions for various diseases.

Synonyms
Bleomycin acid
Bleomycinic acid
37364-66-2
CCRIS 1269
BRN 0605247
bleomycin G
DTXSID901031986
MBA36466
Q59580275