Sodium deoxycholate | Solubility of Things

Identification

Molecular formula

C₂₄H₃₉NaO₄

CAS number

302-95-4

IUPAC name

disodium;(2S,6aR,6aS,8aR,10S)-10-(3-carboxylatopropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate

State

Sodium deoxycholate is a solid at room temperature, commonly used in its powder form. It is known for its ability to dissolve in water and methanol.

Melting point (Celsius)

186.00

Melting point (Kelvin)

459.15

Boiling point (Celsius)

450.00

Boiling point (Kelvin)

723.15

General information

Molecular weight

414.53g/mol

Molar mass

414.5330g/mol

Density

1.4180g/cm³

Appearence

Sodium deoxycholate typically appears as a white or off-white, crystalline powder. It is known for its ability to form a gel with water, offering a somewhat tacky texture owing to its surfactant properties.

Comment on solubility

Solubility of Disodium (2S,6aR,6aS,8aR,10S)-10-(3-Carboxylatopropanoyloxy)-2,4a,6a,6b,9,9,12a-Heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-Dodecahydro-1H-picene-2-carboxylate

This complex compound, known as Disodium (2S,6aR,6aS,8aR,10S)-10-(3-carboxylatopropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate, exhibits certain characteristics regarding its solubility properties.

The solubility of a compound is influenced by several factors, including:

Polarity: Compounds with polar groups tend to be more soluble in polar solvents such as water.
Hydrogen Bonding: The presence of carboxylate groups in this compound suggests that it could engage in hydrogen bonding, which can enhance solubility.
Molecular Weight: Higher molecular weights generally lead to lower solubility.
pH Sensitivity: Being a disodium salt might indicate that this compound could be more soluble under certain pH conditions.

In general, solubility tests reveal that such complex structures can display:

Moderate Solubility: in aqueous solutions due to ionic character.
Reduced Solubility: in organic solvents that lack polar functionalities.

While empirical data is necessary to draw definitive conclusions, one might expect that “this compound could have better solubility in environments that facilitate interaction with polar media.” Further experimental investigations are encouraged to clarify the solubility landscape for practical applications.

Interesting facts

Interesting Facts about Disodium (2S,6aR,6aS,8aR,10S)-10-(3-carboxylatopropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate

This compound, despite its complex nomenclature, serves integral roles in various scientific fields, particularly in medicinal chemistry and material sciences. Here are some intriguing aspects:

Structural Complexity: The structure of this compound reveals a rich arrangement of carbon rings and functional groups that contribute to its diverse biological activity.
Potential Biological Applications: As a derivative of picene, studies suggest potential uses in drug delivery systems and as a therapeutic agent due to its unique molecular configuration.
Functionality of Carboxylate Groups: The presence of carboxylate groups (-COO^-) makes this compound particularly interesting. These groups increase water solubility, making it easier for biological systems to interact with the compound.
Stereochemistry: The specification of stereochemical configurations (such as S and R forms) points to a level of insight about the compound’s reactivity and interactions that are essential in organic chemistry.
Research Impact: Ongoing research is exploring how modifications to such complex compounds can lead to new insights in drug design and pharmacology.

In conclusion, the intricate makeup of this compound not only showcases the beauty of organic chemistry but also emphasizes the importance of structure-function relationships in the design of new chemical entities.

Synonyms

SCHEMBL1649741

BQENDLAVTKRQMS-BJPJQFINSA-L