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Digitoxin

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Identification
Molecular formula
C41H64O13
CAS number
71-63-6
IUPAC name
[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
State
State

At room temperature, digitoxin is typically seen in a solid-state, specifically as a crystalline form.

Melting point (Celsius)
271.00
Melting point (Kelvin)
544.15
Boiling point (Celsius)
745.90
Boiling point (Kelvin)
1 019.05
General information
Molecular weight
764.96g/mol
Molar mass
764.9640g/mol
Density
1.3000g/cm3
Appearence

Digitoxin appears as colorless or white crystals. It is often seen in formulations as a powder that is odorless.

Comment on solubility

Solubility of the Compound

The solubility of the compound, known for its complex structure, can be influenced by several factors such as the presence of functional groups, molecular weight, and interactions with solvents.

In general, the solubility characteristics of such organic compounds can be summarized as follows:

  • Solvent Compatibility: Organic compounds with multiple hydrophilic groups tend to be more soluble in polar solvents such as water, whereas compounds dominated by apolar characteristics may be better dissolved in non-polar solvents like hexane.
  • Molecular Structure: Large and complex molecules can exhibit lower solubility due to steric hindrance and entropic effects. The specific arrangement of substituents may also impact how well the compound interacts with solvents.
  • pH Influence: The solubility of certain compounds can vary significantly with the pH of the solution, particularly if they contain acidic or basic functional groups that can ionize.

It is often stated that “solubility is a dynamic equilibrium”, meaning that conditions such as temperature and concentration play crucial roles in determining how much of a substance can dissolve. In the case of this compound, it would be essential to conduct experimental evaluations under various conditions to ascertain its solubility profile accurately.

In conclusion, understanding the solubility of this compound requires an in-depth analysis of its molecular characteristics and the environmental conditions under which solubility tests are performed. Further investigation could lead to insightful applications in pharmaceutical and material science fields.

Interesting facts

Interesting Facts About the Compound

This particular compound, recognized by its complex structure and rich stereochemistry, holds significant interest in the realm of organic and medicinal chemistry. The systematic naming gives a glimpse into its multidimensional nature, which is characterized by a tetradecahydrocyclopenta[a]phenanthren backbone.

Chemical Characteristics

Here are some fascinating aspects of this compound:

  • Unique Structural Features: The presence of multiple chiral centers highlights the compound's potential for stereochemical variations, making it a prime candidate for studying enantiomer-specific interactions in biological systems.
  • Functional Groups: The inclusion of both hydroxyl and carbonyl functional groups opens avenues for reactivity, which can be harnessed in various synthetic applications.
  • Potential Biological Activities: Compounds similar in structure to this one have been explored for their roles in medicinal chemistry, especially in cancer research and pharmaceutical applications, due to their potential to interact with biological targets.

Applications and Significance

This compound is not merely an academic curiosity; it may have practical applications in several fields. For instance:

  • It could serve as a lead compound for the development of new drugs.
  • Researchers may explore its behavior in various chemical environments, contributing to the understanding of complex organic reactions.
  • Its intriguing structure makes it a subject of interest in studies focusing on natural product synthesis and modification.

As chemists delve deeper into compounds like this, the collaboration of synthetic chemistry with biological sciences continues to offer exciting prospects, leading to novel applications and innovative therapeutic strategies. The multifaceted nature of such compounds is what makes the field of chemistry an ever-evolving domain of study.


Synonyms
Digitoxigenin formate
1250-96-0
3-Formyl-digitoxigenin
3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide 3-formate
5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-, 3-FORMATE
Card-20(22)-enolide, 3-(formyloxy)-14-hydroxy-, (3-beta,5-beta)-
DTXSID40924993
3-(Formyloxy)-14-hydroxycard-20(22)-enolide