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Digitoxin

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Identification
Molecular formula
C41H64O13
CAS number
71-63-6
IUPAC name
5-[(3S,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
State
State

Digitoxin is in a solid state at room temperature. As a white, odorless powder, it remains stable under standard conditions, allowing for storage and handling in ambient environments without the need for specialized equipment.

Melting point (Celsius)
242.00
Melting point (Kelvin)
515.15
Boiling point (Celsius)
545.00
Boiling point (Kelvin)
818.15
General information
Molecular weight
764.94g/mol
Molar mass
764.9400g/mol
Density
1.2800g/cm3
Appearence

Digitoxin appears as a white powder. It is odorless and tasteless, making it visually inconspicuous apart from its distinct white color. The compound's powdery texture can pose challenges in handling, requiring care to avoid inhalation or dispersion.

Comment on solubility

Solubility of 5-[(3S,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

The solubility of the compound 5-[(3S,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one is influenced by its structural characteristics, which include various functional groups and steric factors. Understanding its solubility is essential for applications in pharmaceuticals and material sciences. Here are some key points regarding its solubility:

  • Hydrophilicity vs. Hydrophobicity: The presence of multiple hydroxyl groups generally enhances hydrophilicity, suggesting potential solubility in polar solvents such as water.
  • Sterical Effects: The bulky structure of the compound may impede solubility, particularly in non-polar solvents, where steric hindrance can affect molecular interactions.
  • Solvent Compatibility: This compound may exhibit variable solubility profiles depending on the solvent used, allowing for potential solubility in organic solvents like ethanol or dimethyl sulfoxide (DMSO).

In summary, the solubility behavior of this complex organic compound is a balance between its hydrophilic functionalities and its overall molecular size and structure. As noted, solubility in varying solvents may be described by the principle: "like dissolves like." Thus, the compound's solubility may provide insights into its bioavailability and reactivity in different chemical environments.

Interesting facts

Interesting Facts About 5-[(3S,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

This complex organic compound is notable for its intricate structure, embodying the fascinating principles of stereochemistry. Its formation is a testament to the marvels of synthetic organic chemistry, as the specific arrangement of its atoms can significantly influence the compound's biological activity.

Key Features

  • Stereochemistry: The presence of multiple stereocenters means that this compound can exist in various forms, impacting its interactions with biological systems. Each spatial arrangement may yield varied pharmacological effects.
  • Natural Product Derivation: This compound belongs to a class of compounds that might have natural origins, typically found in plants or fungi. Exploring these natural products often leads to the discovery of novel drugs.
  • Potential Applications: Given its hydroxyl groups and complex multiple-ringed structure, it may exhibit interesting properties such as anti-inflammatory or anticancer activities, making it a subject of interest in pharmaceuticals.
  • Analytical Techniques: Studying this compound could involve techniques like NMR, IR spectroscopy, and mass spectrometry to unravel its structure and understand its behavior in different environments.
  • Versatile Chemistry: The multifaceted chemistry surrounding this compound allows for synthetic variations, meaning that chemists can modify its structure to improve efficacy or reduce side effects in potential drug applications.

"The beauty of organic chemistry lies in the diversity and complexity of compounds that nature offers, and the innovative ways chemists can replicate or modify these structures in the lab."

Researching this compound may not only provide insights into chemical properties but also offer pathways for future studies in drug design and development, demonstrating the importance of thorough compound analysis in advancing medicinal chemistry.

Synonyms
CHEMBL355996
SCHEMBL12038750
C19643
3beta,14-Dihydroxy-14beta-bufa-4,20,22-trienolide