Fluocinolone acetonide phosphate | Solubility of Things

Identification

Molecular formula

C₂₄H₃₁FO₆P

CAS number

55297-04-0

IUPAC name

[2-[(6S,8S,9S,10R,11S,13S,16R,17R)-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dihydrogen phosphate

State

At room temperature, the compound is a solid. It is stable under typical storage conditions and does not readily evaporate given its relatively high melting point.

Melting point (Celsius)

220.00

Melting point (Kelvin)

493.15

Boiling point (Celsius)

350.00

Boiling point (Kelvin)

623.15

General information

Molecular weight

452.48g/mol

Molar mass

452.4750g/mol

Density

1.4700g/cm³

Appearence

This compound presents as a white to off-white powder. It is primarily synthesized and used in a crystalline form. The powder is generally free from significant odor, maintaining its stable appearance under standard conditions.

Comment on solubility

Solubility of 2-[(6S,8S,9S,10R,11S,13S,16R,17R)-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dihydrogen phosphate

The solubility of this complex chemical compound can be influenced by several factors due to its intricate structure. Here are some key points to consider:

Polarity: The presence of multiple hydroxyl groups and phosphate groups typically increases the polarity of the molecule, which may enhance solubility in polar solvents such as water.
Hydrogen Bonds: This compound's structure suggests it can engage in hydrogen bonding, which may further promote solubility in aqueous environments.
Temperature: Like many compounds, solubility might increase with temperature, allowing for more efficient dissolution.
pH Levels: The acidic or basic nature of the solvent can influence the ionization of the phosphate group, which can enhance the solubility in different pH environments.

As a result, while there is potential for solubility in polar solvents, the exact solubility profile would require experimental determination to evaluate how factors such as solvent type, temperature, and pH play a role in its dissolution.

Interesting facts

Interesting Facts about 2-[(6S,8S,9S,10R,11S,13S,16R,17R)-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl dihydrogen phosphate

This fascinating compound, often encountered in the field of medicinal chemistry, has garnered attention due to its unique structural features and biological implications. Here are some notable aspects:

Stereochemistry: The specific stereochemistry of this compound, denoted by the various "S" and "R" notations, plays a crucial role in determining its biological activity and pharmacological properties.
Fluorination: The inclusion of a fluorine atom in its structure enhances the compound's metabolic stability and bioactivity, making it an interesting candidate for drug development.
Phosphate Group: The presence of a dihydrogen phosphate moiety indicates potential applications in enzyme activity modulation, as phosphate groups are pivotal in biochemical processes, especially in signaling pathways.
Structure-Activity Relationship (SAR): The compound's complex structure suggests a rich avenue for SAR studies, enabling chemists to explore how changes in substituents can affect its efficacy and safety profile.

Overall, 2-[(6S,8S,9S,10R,11S,13S,16R,17R)-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl dihydrogen phosphate stands at the intersection of organic synthesis and pharmacology. This compound exemplifies the intricacies of drug design and has potential therapeutic applications that merit further investigation.