NAD+ | Solubility of Things

Identification

Molecular formula

C₂₁H₂₇N₇O₁₄P₂

CAS number

53-84-9

IUPAC name

[5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate

State

NAD⁺ is typically a solid and is stable at room temperature within its dry, crystalline form.

Melting point (Celsius)

140.00

Melting point (Kelvin)

413.15

Boiling point (Celsius)

0.00

Boiling point (Kelvin)

0.00

General information

Molecular weight

663.43g/mol

Molar mass

663.4250g/mol

Density

1.6480g/cm³

Appearence

Nicotinamide adenine dinucleotide (NAD⁺) commonly appears as a white amorphous powder.

Comment on solubility

Solubility of [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate

The solubility of the compound C₂₁H₂₇N₇O₁₄P₂ can be influenced by several factors, given its complex structure. This compound exhibits characteristics that suggest it might display variable solubility in different solvents:

Polar Solvents: Due to the presence of multiple hydroxyl groups and phosphonate moieties, it is likely to be soluble in polar solvents such as water and methanol. The ability to form hydrogen bonds can enhance solubility.
Non-Polar Solvents: In contrast, solubility in non-polar solvents is expected to be low, as the compound’s polar functional groups are less compatible with apolar environments, diminishing solubility.
pH Dependence: The solubility might also be pH-dependent, particularly given the molecular structure containing basic (pyridinic) and acidic (phosphonic) functional groups, which could affect ionization and solvatation in solution.
Temperature Effects: Temperature changes could influence solubility, with increased temperatures generally resulting in higher solubility for many organic compounds.

Understanding the solubility behavior of C₂₁H₂₇N₇O₁₄P₂ is crucial not only for its practical applications in formulations such as pharmaceuticals but also for its behavior in biological systems.

As a rule of thumb, distinct components of a compound can significantly affect its overall solubility. Hence, when investigating solubility, always consider the structural features and their contributions.

Interesting facts

Interesting Facts about 5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate

This complex compound represents a fascinating intersection of organic chemistry and medicinal research. Here are some noteworthy aspects:

Multi-functional Potential: The presence of multiple functional groups, including the phosphoryl and methoxy-hydroxy moieties, suggests potential benefits in biochemical pathways, especially in the realm of pharmaceuticals.
Biological Relevance: The purine and pyridine components are known to play significant roles in biological systems, often being parts of nucleotides and other vital cellular functions.
Enzymatic Interactions: Due to the phosphoryl group, this compound may engage with various enzymes, potentially serving as a substrate or even as an analog of natural compounds, thus impacting biochemical reactions.
Synthetic Challenge: The synthesis of such intricate molecules challenges chemists and requires advanced techniques, including multi-step organic synthesis and careful manipulation of conditions to ensure successful formation.

Moreover, as a scientist, you might appreciate the vast possibilities this compound could hold in drug discovery. The structure hints at a possible application in targeted therapies, especially as researchers continuously search for novel agents with low toxicity and high efficacy.

As pioneering researchers once said, “Each complex structure is a key to new doors in science.” This compound serves as a stepping stone for future exploration in medicinal chemistry and beyond!