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Digitoxin

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Identification
Molecular formula
C41H64O13
CAS number
71-63-6
IUPAC name
[(3S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-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-16-yl] acetate
State
State

Digitoxin is solid at room temperature. It is typically encountered as a crystalline powder with a stable form.

Melting point (Celsius)
255.00
Melting point (Kelvin)
528.15
Boiling point (Celsius)
514.97
Boiling point (Kelvin)
788.12
General information
Molecular weight
764.96g/mol
Molar mass
764.9610g/mol
Density
1.2200g/cm3
Appearence

Digitoxin is a white crystalline powder that is practically odorless and has a bitter taste.

Comment on solubility

Solubility of the Compound

The solubility of the compound [(3S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-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-16-yl] acetate can be influenced by various structural characteristics.

Factors Affecting Solubility

  • Polarity: The presence of hydroxy and methoxy groups generally increases polarity, which can enhance solubility in polar solvents.
  • Molecular Size: The large size and complexity of the molecular structure may lead to lower solubility in some solvents.
  • Hydrogen Bonding: The ability to form hydrogen bonds with solvents can greatly improve solubility, especially in alcohols and water.

In general, the solubility of such a complex compound is best characterized by:

  • High solubility in polar solvents due to functional groups.
  • Limited solubility in non-polar solvents due to its bulky structure.

It is important to note that temperature, pH, and other environmental conditions also play a significant role in affecting solubility. Understanding these factors will assist in predicting how this compound behaves in different settings.

Interesting facts

Interesting Facts About the Compound

The compound with the name (3S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-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-16-yl] acetate is a fascinating chemical compound that plays a crucial role in various biological applications. Its complex structure showcases an intriguing blend of several functional groups and stereocenters, making it a subject of interest in medicinal chemistry.

Key Features

  • Biological Relevance: This compound is a derivative of natural products, which are vital in drug discovery processes. Many compounds with complex structures have been shown to have pharmacological activities.
  • Synthetic Challenges: The multi-step synthesis of such compounds often requires advanced techniques in organic chemistry, making it a challenging yet rewarding endeavor for chemists.
  • Potential Applications: The compound’s unique structure may contribute to its interaction with biological targets, leading to the discovery of new therapeutic agents.
  • Isomeric Diversity: With multiple stereocenters, various isomers of this compound exist, each potentially exhibiting different biological activities, thus expanding the scope of research possibilities.

As quote from a leading chemist suggests, "The beauty of organic chemistry lies in its complexity and the infinite array of structures that can have profound impacts on human health." It's this complexity that not only makes the study of this compound fascinating but also highlights the continuous need for innovative approaches in the realm of medicinal chemistry.

In conclusion, studying compounds like this one not only enhances our understanding of chemical properties but also paves the way for breakthroughs in medical therapy and drug design.