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Digoxin

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Identification
Molecular formula
C41H64O14
CAS number
20830-75-5
IUPAC name
3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
State
State

At room temperature, Digoxin is typically in a solid state.

Melting point (Celsius)
249.30
Melting point (Kelvin)
522.40
Boiling point (Celsius)
539.60
Boiling point (Kelvin)
812.80
General information
Molecular weight
780.94g/mol
Molar mass
780.9440g/mol
Density
1.1100g/cm3
Appearence

Digoxin appears as white or almost white crystalline powder that is practically odorless.

Comment on solubility

Solubility of 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

The solubility of this complex compound is highly influenced by its intricate molecular structure and functional groups. Understanding its solubility characteristics can be quite nuanced:

  • Polarity: The presence of multiple hydroxy groups indicates that the compound may have polar characteristics, potentially allowing it to interact favorably with polar solvents like water.
  • Hydrophobic regions: However, the extensive hydrophobic tetradecahydrocylopenta[a]phenanthren framework may hinder solubility in aqueous environments.
  • Solvent interactions: This compound might demonstrate different solubility in organic solvents. For example, it could have better solubility in nonpolar solvents due to its long carbon chain.
  • Temperature dependency: Solubility can vary with temperature, where increased temperatures may enhance solubility in certain solvents.
  • Potential for modifications: The incorporation of other functional groups or structural modifications on the molecule can significantly alter its solubility profile.

In summary, predicting the solubility of this compound involves analyzing its balance between polar and nonpolar characteristics, making it a fascinating subject for further investigation. Thus, it may exhibit solubility behavior that is both sizeable and complex, often requiring experimental determination for precise insights.

Interesting facts

Exploring 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

This fascinating compound belongs to a class of organic molecules known for their complex structures and biological significance. The intricate configuration of this compound is a testament to the beauty of organic chemistry, highlighting how slight variations in stereochemistry can lead to vastly different properties and activities.

Here are some noteworthy aspects of this compound:

  • Stereochemistry: The specific stereochemical arrangement (3S, 5R, 10S, 13R, 14S, 17R) is crucial for its biological activity, often influencing how the molecule interacts with biological systems.
  • Functional Groups: The presence of functional groups such as hydroxyl (-OH) and methoxy (-OCH3) gives this compound its potential reactivity and solubility characteristics, allowing for diverse chemical transformations.
  • Natural Product Potential: This compound may be derived from or mimic structures found in natural products, making it an interesting candidate for further investigation in pharmaceuticals and natural therapies.
  • Applications: The possible applications range from medicinal chemistry, where such compounds could be developed into therapeutic agents, to materials science, where they might serve as building blocks for advanced materials.

Understanding the intricacies of compounds like this can pave the way for new discoveries in drug design and materials engineering. As one renowned chemist noted, "The essence of chemistry is to explore the unknown while drawing useful connections between complex structures and their functions." This compound embodies that essence, highlighting the interplay between structure and function in the molecular world.