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Ouabain

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Identification
Molecular formula
C29H44O12
CAS number
630-60-4
IUPAC name
(3S,5S,10S,13R,14S,17R)-3-[(2R,5R)-6-[[(3R,6S)-4,6-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxymethyl]-3,5-dihydroxy-4-methoxy-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
State
State

Ouabain is typically in a solid crystalline state at room temperature.

Melting point (Celsius)
197.00
Melting point (Kelvin)
470.15
Boiling point (Celsius)
238.00
Boiling point (Kelvin)
511.15
General information
Molecular weight
584.66g/mol
Molar mass
584.6580g/mol
Density
1.2800g/cm3
Appearence

Ouabain appears as a white crystalline solid. It is known for its glossy and powdery texture when in a pure state.

Comment on solubility

Solubility Characteristics

The solubility of the compound (3S,5S,10S,13R,14S,17R)-3-[(2R,5R)-6-[[(3R,6S)-4,6-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxymethyl]-3,5-dihydroxy-4-methoxy-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde is influenced by its complex structure and the presence of various functional groups. Here are some key considerations:

  • Polarity: The compound has multiple hydroxyl groups which can increase polarity, suggesting increased solubility in polar solvents such as water.
  • Hydrogen Bonding: The presence of hydroxyl groups facilitates hydrogen bonding, enhancing solvation in appropriate solvents.
  • Solvent Specificity: This compound may demonstrate:
    • Good solubility in alcohols and other polar protic solvents due to ability to form strong interactions.
    • Limited solubility in non-polar solvents as its intricate polar structure may hinder effective interaction with those solvents.

In summary, while predicting solubility can be challenging for structurally complex compounds like this, the interplay of its functional groups provides insights on its solubility profile. A thorough analysis is essential for accurate solubility predictions.

Interesting facts

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

This compound is a fascinating example of a complex organic molecule, showcasing the intricate relationships between structure and biological activity. Here are some intriguing aspects:

  • Natural Product Origin: Many compounds similar to this one are derived from natural products and play critical roles in pharmacology.
  • Stereo-specificity: The compound has multiple stereocenters which confer unique spatial properties, influencing its interaction with biological systems. The specific orientation of these atoms is crucial for the compound's activity.
  • Potential Applications: Due to its complex structure, it holds promise in medicinal chemistry, particularly as a template for synthesizing new therapeutics.
  • Mechanistic Insight: Researchers are intrigued by how the different functional groups, such as hydroxyls and methoxy groups, can influence the compound’s solubility and reactivity.
  • Chemical Stability: The intricate connections and multiple rings in its structure offer a window into the study of stability in chemical compounds under various conditions.

In the words of a famous chemist, "The beauty of a molecule lies in its design and its function." This compound truly exemplifies this notion through its multifaceted design related to potential uses in chemistry and biology.

In conclusion, investigating compounds like this one is essential for discovering new methods and innovations in drug design and other industries. The study of such complex organic molecules continues to be a vital and exciting area of research!