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Digoxin

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Identification
Molecular formula
C41H64O14
CAS number
20830-75-5
IUPAC name
3-[(1R,3S,9S,11R,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;octahydrate
State
State

At room temperature, Digoxin is typically a solid in the form of crystals or crystalline powder.

Melting point (Celsius)
228.00
Melting point (Kelvin)
501.15
Boiling point (Celsius)
561.00
Boiling point (Kelvin)
834.15
General information
Molecular weight
780.94g/mol
Molar mass
780.9440g/mol
Density
1.1000g/cm3
Appearence

Digoxin typically appears as white or almost white crystals or as a white or almost white crystalline powder. It may appear as a colorless cubic crystal depending on its specific form.

Comment on solubility

Solubility of 3-[(1R,3S,9S,11R,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;octahydrate (C41H64O14)

The solubility of this complex compound can be characterized by several factors that influence its interaction with solvents. Due to the presence of multiple hydroxyl (-OH) groups, it is expected to exhibit a degree of **hydrophilicity**. This is particularly relevant in polar solvents such as water, which can effectively interact with the hydroxyl functional groups, enhancing solubility.

  • In water: The octahydrate form suggests a significant affinity for water, likely indicating good solubility.
  • In organic solvents: Limited solubility may occur in non-polar organic solvents due to its complex hydrophilic structure.

Furthermore, the stereochemistry and intricate cyclic structures contribute to its overall solubility behavior, potentially leading to variations in solubility across different temperatures and pH levels. As a rule of thumb, compounds with a higher number of hydroxyl groups tend to have a better solubility profile in aqueous solutions. However, specific empirical data is critical for precise assessments.

To summarize, understanding the solubility of this compound is pivotal for its applications, with key considerations being:

  1. Presence of hydroxyl groups promoting solubility in water.
  2. Solvent polarity affecting interactions and solubility potential.
  3. Influence of stereochemistry on solubility characteristics.

Ultimately, the solubility of this compound underscores the intricate relationship between molecular structure and solvent interaction, making it a fascinating subject for further study.

Interesting facts

Interesting Facts about the Compound

This fascinating compound, known for its complex structure and diverse applications, is of great interest in the realms of chemistry and pharmacology. Below are some intriguing points that showcase its significance:

  • Natural Occurrence: The compound is derived from natural sources, often found in specific plants and fungi, which makes it a subject of study for those interested in natural products chemistry.
  • Biological Activity: Research has indicated that the compound exhibits various biological activities, such as anti-inflammatory and antioxidant properties. This has led to its exploration in medicinal chemistry for potential therapeutic applications.
  • Complex Structure: The intricacy of the structure can significantly influence its function. With multiple hydroxyl groups and a tetrahypan ring, the compound participates in unique interactions with biological targets, enhancing its efficacy as a drug candidate.
  • Synthesis Challenges: The synthesis of this compound can be quite challenging due to its elaborate molecular framework. Chemists are often fascinated by the creative strategies employed to achieve its synthesis, paving the way for new synthetic methods.
  • Potential in Drug Development: Given its biological activities, scientists are evaluating the compound's potential as a lead structure for developing new medications, particularly in the fields of oncology and cardiovascular health.

Overall, the study of this compound not only enriches our understanding of complex chemical structures but also opens new avenues for drug discovery and development. As one emerging area of research, it emphasizes the importance of natural compounds in modern medicine.

Synonyms
gamma-Strophanthin
g-Strophanthin Octahydrate
SCHEMBL14973728
AKOS026750082