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Nicotinamide adenine dinucleotide

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Identification
Molecular formula
C21H27N7O14
CAS number
53-84-9
IUPAC name
3,4,5-trihydroxy-6-[3-(1-methyl-5-oxo-pyrrolidin-2-yl)pyridin-1-ium-1-yl]tetrahydropyran-2-carboxylic acid
State
State

Nicotinamide adenine dinucleotide is typically found as a solid under standard conditions. However, it is notably hygroscopic and can absorb moisture from the environment, which may affect its solid-state properties. It should be stored in a cool, dry place and handled in a way that minimizes exposure to moisture.

Melting point (Celsius)
140.00
Melting point (Kelvin)
413.15
Boiling point (Celsius)
660.00
Boiling point (Kelvin)
933.15
General information
Molecular weight
663.43g/mol
Molar mass
663.4250g/mol
Density
0.8600g/cm3
Appearence

Nicotinamide adenine dinucleotide typically appears as a yellowish-white powder. Upon hydration, it may also form colorless to slightly yellow solutions that are clear or slightly opalescent. The compound is sensitive to moisture and is usually handled under inert conditions to prevent degradation.

Comment on solubility

Solubility of 3,4,5-trihydroxy-6-[3-(1-methyl-5-oxo-pyrrolidin-2-yl)pyridin-1-ium-1-yl]tetrahydropyran-2-carboxylic acid

The solubility of the compound C21H27N7O14 can be influenced by its complex structure and the presence of multiple functional groups. Here are some key aspects to consider:

  • Polar Functional Groups: The presence of hydroxyl (-OH) groups and a carboxylic acid (-COOH) contributes to increased polarity, making the compound more likely to dissolve in polar solvents such as water.
  • Ionization Potential: The pyridinium ring may facilitate ionization in solution, enhancing solubility in aqueous environments through the formation of ions.
  • Hydrogen Bonding: The ability to form hydrogen bonds with solvents can further enhance solubility, particularly in alcohols and other protic solvents.
  • Hydrophobic Regions: Conversely, the presence of hydrophobic regions may limit solubility in highly polar solvents, leading to varied solubility based on the solvent system used.

Ultimately, the solubility of this compound is likely to be moderate in water, while its solubility may vary significantly in organic solvents depending on their polarity and ability to interact with the molecule's functional groups.

Interesting facts

Interesting Facts about 3,4,5-Trihydroxy-6-[3-(1-methyl-5-oxo-pyrrolidin-2-yl)pyridin-1-ium-1-yl]tetrahydropyran-2-carboxylic Acid

This fascinating chemical compound, often abbreviated for convenience, boasts a unique structure that sets it apart in the realm of organic chemistry. Here are some key points that highlight its significance:

  • Potential Bioactivity: The presence of multiple hydroxy groups suggests that this compound may exhibit interesting biochemical properties. Such functional groups can enhance interactions with biological systems, making it a subject of interest in drug design.
  • Pyridine Derivative: The incorporation of a pyridine ring implies that this compound might demonstrate *basic properties* and can participate in various chemical reactions. Pyridine derivatives are known for their roles in pharmaceuticals and agrochemicals.
  • Complexity of Structure: The intricate arrangement of the tetrahydropyran and pyrrolidine moieties contributes to its three-dimensional conformation, which is crucial for its reactivity and interactions with potential targets in biological systems.
  • Carboxylic Acid Functional Group: The carboxylic acid portion of this compound can engage in hydrogen bonding, which might enhance its solubility and bioavailability. This feature is often critical in the activity of medicinal compounds.
  • Multifunctionality: Given its diverse functional groups, this compound could be a valuable scaffold in the synthesis of other important molecules. The ability to modify various parts of its structure opens doors to creating compounds with enhanced properties.

In summary, the chemical compound 3,4,5-trihydroxy-6-[3-(1-methyl-5-oxo-pyrrolidin-2-yl)pyridin-1-ium-1-yl]tetrahydropyran-2-carboxylic acid serves as an intriguing example of how structural complexity can play an essential role in the properties and applications of organic compounds. Scientists continue to explore compounds like these for their potential to impact fields ranging from medicinal chemistry to material science.

Synonyms
A26472