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NAD+

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Identification
Molecular formula
C21H27N7O14P2
CAS number
53-84-9
IUPAC name
[2-(6-aminopurin-9-yl)-5-[[[[5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] hydrogen phosphate
State
State

Solid at room temperature and typically used as a solution in biological studies. It is soluble in water and forms a colorless solution.

Melting point (Celsius)
140.00
Melting point (Kelvin)
413.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
663.43g/mol
Molar mass
663.4250g/mol
Density
0.3000g/cm3
Appearence

NAD+ is a white amorphous powder that is hygroscopic in nature and often appears as a sodium salt in commercial samples. It is typically dissolved in water for biological and chemical studies.

Comment on solubility

Solubility Insights for 2-(6-Aminopurin-9-yl)-5-[[[[5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] hydrogen phosphate (C21H27N7O14P2)

The solubility of this complex compound is influenced by several factors due to its intricate structure and multiple functional groups. Here are some key points to consider:

  • Polarity: The presence of multiple hydroxyl (\-OH) groups suggests the ability to hydrogen bond with water, indicating potential solubility in polar solvents.
  • Charge: The quaternary ammonium group contributes a positive charge, which may enhance solubility in anionic environments or buffer systems.
  • Structural Complexity: The various rings and functional groups may limit solubility by restricting molecular movement, affecting how well the compound can interact with the solvent.

In summary, it can be said that:

  1. This compound is likely soluble in polar solvents, especially those capable of forming hydrogen bonds.
  2. Its solubility may vary significantly under different pH conditions, where the ionization of functional groups alters interactions.

Due to its complexity, testing under controlled conditions is essential to determine its precise solubility profile. It's important to keep in mind that while the theoretical aspects provide guidance, empirical data greatly enhances our understanding of solubility in real-world applications.

Interesting facts

Exploring the Compound: 2-(6-Aminopurin-9-yl)-5-[[[[5-(3-Carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] Hydrogen Phosphate

This complex compound is a fascinating example of the intricate world of bioorganic chemistry, where the interplay of nucleic acids and phosphate groups plays a significant role. Here are some compelling facts about this compound:

  • Structural Complexity: The compound features multiple functional groups including amino, hydroxyl, and phosphonate moieties, contributing to its versatility in biochemical applications.
  • Biological Relevance: With its structural similarity to nucleotides, this compound has potential implications in therapeutic development, particularly in targeting nucleic acid metabolism.
  • Drug Design: The presence of a pyridine ring and multiple hydroxyl groups suggests this compound could interact well with biological macromolecules, making it a candidate for designing drugs aimed at modulating cellular functions.
  • Phosphate Backbone: The phosphoric acid derivatives present in the structure highlight the importance of energy transfer and signaling in biological systems, reminiscent of ATP and other nucleotides.
  • Chemical Stability: Understanding the stability of this compound under physiological conditions can shed light on its potential efficacy as a drug, influencing how it is metabolized in the body.

As the study of such compounds progresses, the potential applications in fields like molecular biology, pharmacology, and synthetic chemistry continue to grow. Scientists are continually exploring how variations in structure, such as the unique tetrahydrofuran components, affect the biological activity and interactions of this intriguing molecule. Indeed, the future of research on this compound may yield valuable insights into new therapeutic strategies and drug formulations.