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Digoxin

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Identification
Molecular formula
C41H64O14
CAS number
20830-75-5
IUPAC name
3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5S)-6-[[(3R,6S)-4,6-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
State
State

Digoxin is typically in a solid state at room temperature. The crystalline powder is stable and does not easily convert to a different state.

Melting point (Celsius)
249.00
Melting point (Kelvin)
522.15
Boiling point (Celsius)
536.00
Boiling point (Kelvin)
809.15
General information
Molecular weight
780.95g/mol
Molar mass
780.9460g/mol
Density
1.2800g/cm3
Appearence

Digoxin appears as a white or nearly white crystalline powder. It is usually odorless and has a bitter taste. Crystals tend to be very fine and of a needle-like shape when viewed under a microscope.

Comment on solubility

Solubility of 3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5S)-6-[[[3R,6S)-4,6-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one (C41H64O14)

The solubility of the compound C41H64O14 is an intriguing aspect that relates to its complex structure. Here are some key points to consider:

  • Polarity: The presence of numerous hydroxyl groups (-OH) suggests that this compound is likely to exhibit increased polarity, which can enhance its solubility in polar solvents such as water.
  • Hydrogen Bonding: The capability to form hydrogen bonds due to its multiple hydroxyl groups may significantly influence its solubility characteristics.
  • Solvent Interaction: This compound may have varying solubility in different organic solvents. It could be soluble in alcohols and ethers but may find itself less soluble in non-polar solvents due to its size and functional groups.
  • Temperature Effects: Solubility can also be affected by temperature; generally, as temperature increases, solubility in most solvents improves.

In practice, one could summarize that while this compound's intricate structure may enhance solubility in specific environments, its complete solubility profile would need empirical assessment to validate these predictions. It's important to remember that "like dissolves like," emphasizing the role of solvent choice in solubility studies.

Interesting facts

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

This compound, often referred to in research settings, is a fascinating example of complex molecular structures and their implications in various fields, including medicinal chemistry and pharmacology. Here are some intriguing aspects of this compound:

  • Structural Complexity: The compound features a multi-ring structure that highlights the intricate relationship between its natural occurrence and synthetic modifications. Such complexities often correlate with heightened biological activity.
  • Potential Biological Activity: Compounds of this nature are frequently investigated for their potential therapeutic applications, especially in the realm of cancer treatment and cardiovascular health. Their unique structures can interact distinctly with biological systems.
  • Natural Derivatives: Many compounds similar to this one are derived from natural sources, such as plants, and have been used in traditional medicine. It is studied how modifications in their structure can enhance efficacy or reduce side effects.
  • Methodological Challenges: Due to its complex structure, synthesizing this compound can pose significant challenges. Chemists often employ advanced techniques in organic synthesis and utilize various catalysts to successfully attain pure forms of the molecule.
  • Environmental Impact: Research surrounding such compounds also delves into their ecological effects. Understanding the origins and breakdown pathways of these molecules is crucial for assessing their environmental safety.

In summary, the compound 3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5S)-6-[[(3R,6S)-4,6-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one is not only a structural marvel but also a key player in ongoing research aimed at uncovering new medical therapies and enhancing our understanding of chemical interactions in living organisms.

Synonyms
Erysimosol
11006-14-7
Erysimosole
3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5S)-6-[[(3R,6S)-4,6-dihydroxy-2-methyloxan-3-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
(3beta,5beta)-3-[(2,6-dideoxy-4-O-beta-D-glucopyranosyl-beta-D-ribo-hexopyranosyl)oxy]-5,14,19-trihy
EINECS 234-240-4
Erysimole
Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-beta-D-glucopyranosyl-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-, (3-beta,5-beta)-
(3beta,5beta)-3-((2,6-Dideoxy-4-O-beta-D -glucopyranosyl-beta-D -ribo-hexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide