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Sodium chenodeoxycholate

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Identification
Molecular formula
C26H42NaO4
CAS number
997-58-2
IUPAC name
sodium;2-[(3R,4S,5S,8S,11R,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoate
State
State
The compound is usually in a solid state at room temperature.
Melting point (Celsius)
193.00
Melting point (Kelvin)
466.15
Boiling point (Celsius)
661.50
Boiling point (Kelvin)
934.65
General information
Molecular weight
420.56g/mol
Molar mass
420.5580g/mol
Density
1.2500g/cm3
Appearence

Sodium chenodeoxycholate typically appears as a white to off-white crystalline powder. It is often hygroscopic and may have a mild, characteristic odor. The powder is soluble in water and tends to form clear to slightly opalescent solutions.

Comment on solubility

Solubility of Sodium; 2-[(3R,4S,5S,8S,11R,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoate

The solubility of this complex compound can be quite intriguing. Given its structural intricacies, the solubility largely depends on factors such as polarity, intermolecular forces, and the presence of functional groups. Here are several key considerations regarding its solubility:

  • Polarity: The presence of multiple hydroxyl groups and an acetate functional group suggests some degree of polarity, potentially making the compound soluble in polar solvents like water.
  • Hydrophobic Regions: The extensive hydrocarbon portions may create hydrophobic characteristics, which could hinder solubility in polar environments, favoring solubility in non-polar solvents instead.
  • Molecular Weight: With a significant molecular weight stemming from its large dodecahydro component, this could also impact solubility, often leading to lower solubility in general solvents.
  • Temperature and pH Factors: Solubility might also vary significantly with changing temperature and pH, thus making it essential to consider these conditions during practical applications.

In summary, while the presence of polar functional groups suggests a potential for solubility in polar solvents, the significant hydrophobic parts could detract from this property. Ultimately, the solubility behavior of this compound is expected to be nuanced and multifaceted, making empirical testing essential for precise characterization.

Interesting facts

Interesting Facts about Sodium; 2-[(3R,4S,5S,8S,11R,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoate

This compound, a complex organic molecule, stands out for several reasons. Not only does it encapsulate a rich interplay of chemical structures, but its unique configuration offers fascinating insights into its reactivity and potential applications. Here are some key points of interest:

  • Sodium's Role: Sodium is a vital element in biological systems, particularly in cellular processes and neural signaling. Its presence in this compound may suggest enhanced metabolic or physiological functionalities.
  • Structural Complexity: The presence of multiple chiral centers (3R, 4S, 5S, etc.) gives this compound stereoisomeric potential, leading to different chemical and biological behaviors depending on its specific configuration.
  • Pharmaceutical Importance: Compounds similar in structure often serve significant roles in medicine, including anti-inflammatory and antioxidant properties. The presence of the dodecahydro structure hints at potential natural product derivatives that could be explored for therapeutic uses.
  • The Acetate Group: The acetoxy group attached to the tetracyclic moiety could enhance the lipophilicity of the compound, affecting its bioavailability and interaction with biological membranes.

As a student or a chemist working with complex organic compounds, it is essential to appreciate the synthesis pathways, potential biological activities, and the interplay of functional groups that make this compound a potential candidate for further investigation. As one might say in the lab, "The beauty of chemistry lies in its complexity and the stories each molecule tells."

In conclusion, the exploration of such compounds not only deepens our understanding of organic chemistry but also opens doors to innovative applications across various fields, especially pharmaceuticals.