Br-NADPH analog | Solubility of Things

Identification

Molecular formula

C₁₅H₁₂BrN₅O₇P

CAS number

Not available

IUPAC name

2-amino-8-bromo-9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-3H-purin-6-one

State

At room temperature, this compound is a solid.

Melting point (Celsius)

228.00

Melting point (Kelvin)

501.15

Boiling point (Celsius)

400.00

Boiling point (Kelvin)

673.15

General information

Molecular weight

482.16g/mol

Molar mass

482.1420g/mol

Density

2.1000g/cm³

Appearence

The compound typically appears as a white to off-white crystalline powder.

Comment on solubility

Solubility of 2-amino-8-bromo-9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-3H-purin-6-one

The solubility of 2-amino-8-bromo-9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-3H-purin-6-one (C₁₅H₁₂BrN₅O₇P) can be quite complex due to its intricate molecular structure. Several factors influence its solubility characteristics:

Molecular weight: At 421.2 g/mol, the relatively high molecular weight can contribute to lower solubility in traditional solvents.
Polarity: The presence of multiple hydroxyl groups and a phosphonate moiety enhances polarity, which might increase solubility in polar solvents.
Functional groups: The amino and bromo substituents could exhibit variable solubility responses, affecting interactions with solvents.

Generally, we may expect:

Higher solubility in aqueous solutions due to ionic interactions.
Limited solubility in nonpolar organic solvents because of hydrophobic interactions.

It is often noted that "the solubility of a compound is a delicate balance of its structures and interactions." Therefore, specific solubility studies are essential to determine the practical solubility of this compound in various solvents. Ultimately, considerations of temperature, pH, and specific solvent interactions will play crucial roles in its solubility profile.

Interesting facts

Interesting Facts about 2-amino-8-bromo-9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-3H-purin-6-one

This compound is a fascinating example of a complex chemical structure that combines several important functional groups. Here are some noteworthy points about this intriguing molecule:

Structural Complexity: The compound boasts an impressive multi-ring structure characteristic of purines, along with an intricate dioxaphosphinin component. This complexity opens avenues for nuanced interactions within biological systems.
Potential Biological Activity: Similar compounds have been studied for their potential as pharmaceuticals. Research has indicated that purine derivatives can exhibit anti-cancer, anti-viral, and anti-inflammatory properties, so this compound may also deserve exploration in medicinal chemistry.
Role of Bromine: The presence of bromine (Br) introduces unique electronic properties, potentially enhancing its biochemical activity or modifying its reactivity in synthetic pathways.
Hydroxyl Groups: The two hydroxyl (–OH) groups in the structure can engage in hydrogen bonding, affecting solubility and interaction with biological targets, possibly influencing its pharmacokinetics.
Phosphorus Chemistry: The incorporation of phosphorus in the dioxaphosphinin ring suggests unique reactivity that can be exploited for various applications in organic synthesis and possibly in the development of novel materials.

As with many synthetic compounds, further studies are essential to fully elucidate its properties and potential applications. As noted by some researchers, "the true value of synthetic chemistry lies not only in its ability to create new compounds but also in discovering their unique behaviors and characteristics."

This compound, sitting at the intersection of organic, medicinal, and materials chemistry, exemplifies the beauty of chemical diversity and serves as a reminder of the intricate possibilities within the scientific field.