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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] acetate
State
State

At room temperature, Digitoxin is typically found in a solid state, specifically as a crystalline powder.

Melting point (Celsius)
250.00
Melting point (Kelvin)
523.15
Boiling point (Celsius)
574.15
Boiling point (Kelvin)
847.30
General information
Molecular weight
764.97g/mol
Molar mass
764.9650g/mol
Density
1.2800g/cm3
Appearence

Digitoxin typically appears as a white or almost white crystalline powder. It is odorless and has a bitter taste.

Comment on solubility

Solubility of the Compound

The compound [(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] acetate presents intriguing characteristics regarding solubility. Understanding the solubility of this compound is essential, and several factors influence it:

  • Polarity: The presence of hydroxyl groups and acyl functionalities often increases solubility in polar solvents.
  • Molecular Size: Larger molecules may have reduced solubility due to steric hindrance.
  • Hydrogen Bonding: Compounds capable of forming hydrogen bonds generally exhibit higher solubility in water and alcohols.
  • Solvent Interactions: Compatibility with specific solvents is crucial. For instance, polar protic solvents, like alcohols, might dissolve this compound better than non-polar solvents.

Despite these insights, precise solubility data may vary based on environmental conditions, such as temperature and pH. As a rule of thumb, "like dissolves like" often determines solubility patterns. The intricate structure and functional groups of this compound suggest it may have varying solubility in different solvents, potentially making it suitable for diverse applications in chemical research.

Interesting facts

Interesting Facts about the Compound

This compound is a fascinating example of complex organic chemistry, particularly in the realm of steroid derivatives. As a member of a class of compounds frequently utilized in medicinal chemistry, it is essential to understand its various aspects and implications. Here are some compelling points:

  • Steroidal Structure: The compound features a steroid backbone, which is crucial for its biological activity. Due to this structure, it can interact efficiently with biological receptors.
  • Medicinal Potential: Steroidal compounds like this one are often investigated for their potential in drug development, particularly in treating hormonal disorders, and can mimic natural hormones in the body.
  • Functional Groups: The presence of hydroxyl (-OH) and acetate (-OCOCH3) functional groups highlights its chemical versatility, allowing it to participate in diverse chemical reactions.
  • Dimethyl Substitution: The dimethyl groups located in the molecule can significantly influence its activity, stability, and pharmacokinetics, portraying how small structural changes can yield different biological effects.
  • Furan Interaction: The unique 5-oxo-2H-furan moiety present in the compound contributes to its reactivity and enhances its biological properties, offering additional sites for potential interactions with biological targets.
  • Stereochemistry: The specific configuration indicated by the stereocenters (3S, 5R, etc.) denotes its three-dimensional orientation, which is vital in defining its function and interaction within biological systems.

As one delves deeper into the study of this compound, it not only showcases the intricate nature of organic syntheses but also opens avenues for exploration in areas such as pharmacology and biochemistry. The blend of structural complexity and functional diversity makes it a worthwhile subject for any chemistry enthusiast!

Synonyms
SCHEMBL21681745
DTXSID001001536
3-(Acetyloxy)-14-hydroxycard-20(22)-enolide