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Digitoxin

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Identification
Molecular formula
C41H64O13
CAS number
71-63-6
IUPAC name
3-[(3S,5R,10S,11R,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-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, digitoxin is found as a crystalline solid.
Melting point (Celsius)
247.00
Melting point (Kelvin)
520.15
Boiling point (Celsius)
542.20
Boiling point (Kelvin)
815.35
General information
Molecular weight
780.94g/mol
Molar mass
780.9440g/mol
Density
1.3505g/cm3
Appearence

Digitoxin appears as a white crystalline powder. This compound is typically employed for its medicinal properties, especially in treating heart conditions.

Comment on solubility

Solubility Characteristics of 3-[(3S,5R,10S,11R,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-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 complex organic compounds can vary widely based on their structural characteristics and functional groups. In the case of the compound 3-[(3S,5R,10S,11R,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, several factors influence its solubility:

  • Polarity: The presence of multiple hydroxyl groups (–OH) increases the polar nature of the molecule, which generally enhances solubility in polar solvents such as water.
  • Hydrophobic regions: Conversely, the large hydrophobic carbon framework may lead to lower solubility in water and a preference for organic solvents.
  • Functional groups: The specific arrangement of functional groups can create complex interactions with solvents, impacting solubility behaviors.
  • Concentration and temperature: As with many compounds, solubility can also depend on concentration levels and temperature, often increasing at elevated temperatures.

In conclusion, this compound's solubility profile is likely characterized by a balance between its hydrophilic and hydrophobic attributes. More precise solubility data would require experimental validation.

Interesting facts

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

This compound is a fascinating example of a complex natural product with various medicinal and biological properties. Here are some engaging facts about it:

  • Bioactivity: Compounds like this one often display significant biological activities, such as anti-inflammatory, antioxidant, and potential anticancer effects. Researchers are particularly interested in their mechanisms of action, which can provide insights into developing new therapeutic agents.
  • Stereochemistry: The specific stereochemistry of this compound—indicated by its multiple chiral centers—contributes to its unique properties and activities. In medicinal chemistry, the arrangement of atoms in space can greatly influence the efficacy and safety of a compound.
  • Structural Complexity: This compound features a highly intricate structure, combining multiple rings and functional groups. Such complexity often poses challenges for synthesis but underscores the ingenuity of nature's design in crafting bioactive molecules.
  • Natural Sources: Compounds similar to this structure are often derived from plants or microorganisms. They can play critical roles in the plant's defense mechanisms and may be investigated for their potential as sustainable sources of pharmaceutical agents.
  • Research Potential: The study of this compound and similar derivatives can lead to discoveries in drug development. The potential to modify specific aspects of the molecule could optimize its pharmacokinetic and pharmacodynamic properties.

As a student or scientist delving into such complex compounds, it is essential to appreciate not just their chemical structure but also their potential applications and the vast tapestry of life from which they originate. The exploration of such molecules goes hand-in-hand with the exciting possibilities they hold in advancing human health and environmental sustainability.