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Diethylstilbestrol

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Identification
Molecular formula
C27H48N2I2
CAS number
956-52-5
IUPAC name
ethyl-[(3R,5S,8R,10S,13S,17R)-3-[ethyl(dimethyl)ammonio]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-dimethyl-ammonium;diiodide
State
State

At room temperature, the compound is a solid and forms as crystalline powder. It must be kept in a sealed container to prevent moisture absorption.

Melting point (Celsius)
176.00
Melting point (Kelvin)
449.15
Boiling point (Celsius)
302.00
Boiling point (Kelvin)
575.15
General information
Molecular weight
458.39g/mol
Molar mass
458.3860g/mol
Density
2.7200g/cm3
Appearence

The compound appears as a white to pale yellow crystalline powder. Its appearance can sometimes be slightly off-white, depending on the specific conditions of storage and purity of the sample. It is hygroscopic and absorbs moisture from the air.

Comment on solubility

Solubility of Ethyl-[(3R,5S,8R,10S,13S,17R)-3-[ethyl(dimethyl)ammonio]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-dimethyl-ammonium;diiodide (C27H48N2I2)

The solubility of the compound ethyl-[(3R,5S,8R,10S,13S,17R)-3-[ethyl(dimethyl)ammonio]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-dimethyl-ammonium;diiodide can be quite complex due to its structural intricacies. Here are some notable aspects regarding its solubility:

  • Polarizability: The presence of diiodide anions often increases the solubility in polar organic solvents.
  • Hydrophobic Regions: The numerous hydrocarbon chains may hinder solubility in polar solvents, while enhancing solubility in nonpolar solvents.
  • Ammonium Group: The ammonium groups contribute to ionic interactions, potentially increasing solubility in aqueous environments.
  • Environmental Factors: Temperature and pH play significant roles; higher temperatures can enhance solubility for many compounds, while pH variations can affect the ionization of ammonium groups.

It is often observed that compounds with complex structures, particularly those like C27H48N2I2, exhibit variable solubility depending on the specific solvent used, suggesting that empirical testing is necessary for accurate determination.

In conclusion, the solubility behavior of this compound illustrates the intricate balance between its polar and nonpolar regions, which can significantly influence where it is soluble. Observations indicate that "the interplay of structural features defines solubility," making empirical testing crucial for comprehensive understanding.

Interesting facts

Interesting Facts about Ethyl-[(3R,5S,8R,10S,13S,17R)-3-[ethyl(dimethyl)ammonio]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentaphenanthren-17-yl]-dimethyl-ammonium;diiodide

This compound represents a fascinating intersection of organic chemistry, medicinal chemistry, and biochemistry, showcasing the complex nature of chemical compounds used in biological applications.

Key Highlights

  • Stereochemistry: The compound's specific stereochemistry, indicated by the configuration of R and S, suggests a unique three-dimensional arrangement that can significantly affect its biological activity and interaction with biological receptors.
  • Quaternary Ammonium Structure: The presence of multiple ethyl(dimethyl)ammonio groups signifies it as a quaternary ammonium compound, which is often characterized by its role in biological systems, particularly in the modulation of cell membrane properties.
  • Potential Applications: Given its intricate structure, this compound could be studied for a variety of applications, including its potential use in drug delivery systems, as a surfactant, or even in the development of antimicrobial agents.
  • Iodide Incorporation: The presence of iodide ions presents intriguing opportunities in the fields of radiochemistry and imaging, especially for potential use in diagnostic imaging techniques.

This compound serves as a robust example of the vast diversity of organic compounds and underscores the importance of understanding their structures and functions. As we expand our knowledge in chemistry, compounds like this one could pave the way for significant advancements in pharmaceutical and biochemical research.

“Understanding the chemistry of complex compounds is not just about knowing their structures; it’s about unlocking the potential they hold in advancing science and technology.”

Synonyms
72-60-6
DTXSID70992685
N~3~,N~17~-Diethyl-N~3~,N~3~,N~17~,N~17~-tetramethylandrostane-3,17-bis(aminium) diiodide