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Nicotinamide adenine dinucleotide

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

At room temperature, nicotinamide adenine dinucleotide is typically found in a solid crystalline form. It may absorb moisture from the air due to its hygroscopic nature.

Melting point (Celsius)
140.00
Melting point (Kelvin)
413.15
Boiling point (Celsius)
195.00
Boiling point (Kelvin)
468.15
General information
Molecular weight
743.41g/mol
Molar mass
743.4050g/mol
Density
1.3405g/cm3
Appearence

Nicotinamide adenine dinucleotide typically appears as a white to off-white crystalline powder. It is hygroscopic and soluble in water.

Comment on solubility

Solubility of 1-[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxylic acid

The solubility of the compound with the chemical formula C21H27N7O14P2 is influenced by various structural characteristics. Here are some key points to consider:

  • Polar Functional Groups: This compound features multiple hydroxyl (-OH) and phosphoryl (-PO3) groups, which enhance its water solubility due to strong hydrogen bonding interactions with water molecules.
  • Amine Presence: The 6-aminopurin-9-yl moiety adds positive charge potential making the compound more hydrophilic, thus increasing solubility in polar solvents.
  • Tetrahydrofuran Rings: The 3,4-dihydroxy-tetrahydrofuran components can complicate solubility, as their cyclic structure might lead to steric hindrance affecting how the compound interacts with solvents.
  • Overall Charge: Given the 'pyridin-1-ium' designation, the compound carries a net positive charge, further promoting solubility in aqueous environments, especially at physiological pH levels.

Overall, it can be inferred that this compound is likely to exhibit moderate to high solubility in water, with potential for solubility in organic solvents depending on their polarity. However, specific empirical data would provide the most accurate insight into its solubility behavior.

Interesting facts

Exploring 1-[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxylic acid

This compound is a fascinating member of the chemical family known for its complex structure and potential biological significance. Notably, it incorporates various functional groups that contribute to its reactivity and interactions with biological systems.

Key Features:

  • Amino Purines: The presence of 6-aminopurine moiety points toward potential roles in biological systems, particularly in nucleobase interactions.
  • Phosphorylation: This compound contains multiple hydroxy-phosphoryl groups, which are essential in biological signaling pathways and are involved in energy transfer processes.
  • Tetrahydrofuran Rings: The inclusion of tetrahydrofuran structures indicates a stable framework that can participate in diverse chemical reactions.

Researchers are particularly intrigued by the intricate way in which the molecule can influence various biochemical pathways. As noted by experts, "The ability to modify and manipulate phosphates opens up avenues for therapeutic applications." This observation highlights the importance of phosphates in cellular functions, including metabolism and signal transduction.

Potential Applications:

  • Pharmaceutical Development: Given its structure, it may serve as a lead compound for designing new drugs targeting specific pathways.
  • Biochemical Research: It can be utilized as a probe in biochemical studies to better understand enzyme mechanisms and metabolic flux.

In summary, the complexity of 1-[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxylic acid illustrates the type of innovative compounds that hold promise in modern chemistry and medicine. Its multifaceted nature invites scientists to delve deeper into its properties and potential uses.

Synonyms
SCHEMBL20208002
NS00015048