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Digitoxin

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Identification
Molecular formula
C41H64O13
CAS number
71-63-6
IUPAC name
5-[(3S,8R,9S,10R,13R,14S,17R)-3-[(2S,3S,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-14-hydroxy-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

At room temperature, digitoxin is in a solid state, typically as a crystalline powder. It is stable under normal conditions but should be protected from light and moisture to maintain its stability.

Melting point (Celsius)
249.00
Melting point (Kelvin)
522.15
Boiling point (Celsius)
593.10
Boiling point (Kelvin)
866.25
General information
Molecular weight
780.94g/mol
Molar mass
780.9370g/mol
Density
1.2800g/cm3
Appearence

Digitoxin typically appears as a white crystalline powder. It may also appear as colorless crystals. The compound is known for its bitter taste.

Comment on solubility

Solubility of 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[(2S,3S,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-14-hydroxy-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 complex organic compounds like 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[(2S,3S,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one can often be challenging to determine due to its structural complexity. Generally, the key factors influencing solubility include:

  • Molecular Structure: The presence of multiple hydroxyl groups indicates potential for hydrogen bonding, which may enhance solubility in polar solvents such as water.
  • Hydrophobic Regions: Larger hydrophobic or aromatic portions of the molecule can limit solubility in polar solvents, making it more soluble in non-polar solvents.
  • pH Sensitivity: The solubility might also vary with pH, especially if the compound can ionize or form salts.

In summary, while this compound may exhibit some level of solubility in water *due to its hydroxyl groups*, **its overall solubility will significantly depend on the balance between hydrophilic and hydrophobic features**. To accurately determine solubility, precise experimental methods should be employed, and solubility data may vary widely depending on the solvent used.

Interesting facts

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

This compound is a remarkable example of natural product chemistry, showcasing the intricate **complexity** and **diversity** found in organic molecules derived from natural sources. Here are some insightful points regarding this unique entity:

  • Structural Intricacy: The molecule features multiple stereocenters and a diverse array of functional groups, indicating a significant level of complexity in its structure. This complexity can be reflected in how it interacts with biological systems.
  • Potential Biological Activity: Many compounds of this nature are candidates for pharmacological research. Their intricate structures often bear functional similarities to metabolites of known medicinal interest.
  • Synthetic Challenges: The synthesis of such complex organic compounds poses substantial challenges in the realms of organic synthesis and sterochemistry. Chemists often explore various synthetic pathways to ensure **chiral integrity** and functional group compatibility.
  • Application in Drug Discovery: The structural features may contribute to unique biological activities, making this compound a prime target for drug discovery processes, often leading to the development of novel therapeutic agents.
  • Yields and Isomers: Isomerism is a crucial aspect of these compounds; different stereoisomers can lead to differing biological activities, highlighting the importance of chirality in **pharmaceutical applications**.

As researchers continue to delve into the properties and potential uses of such compounds, it is clear that their study not only advances **chemistry** but also enhances our understanding of **biological** processes and therapeutic strategies.

Synonyms
SCHEMBL1153230
NS00041397