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Ursodeoxycholic acid

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Identification
Molecular formula
C24H40O4
CAS number
128-13-2
IUPAC name
4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
State
State

Ursodeoxycholic acid is a solid at room temperature. It is stable under standard conditions and typically used in powdered form in pharmaceuticals.

Melting point (Celsius)
203.00
Melting point (Kelvin)
476.15
Boiling point (Celsius)
607.00
Boiling point (Kelvin)
880.15
General information
Molecular weight
392.57g/mol
Molar mass
392.5690g/mol
Density
1.1770g/cm3
Appearence

Ursodeoxycholic acid, often abbreviated as UDCA, appears as a white to off-white crystalline powder. It is odorless or has a very faint scent and a bitter taste. This characteristic appearance makes it relatively easy to identify in its pure form.

Comment on solubility

Solubility of 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid

The solubility of the compound 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid (C24H40O4) is an intriguing topic of discussion, mostly influenced by its complex structure. In assessing its solubility, consider the following aspects:

  • Polarity: The presence of four oxygen atoms in its structure suggests that the molecule may exhibit some degree of polarity, which could enhance solubility in polar solvents such as water.
  • Hydrophobic Regions: The hydrocarbon segments present in the molecule may impart hydrophobic characteristics, possibly leading to reduced solubility in aqueous environments but potentially greater solubility in organic solvents like ethanol or acetone.
  • Acidic Nature: As a pentanoic acid derivative, the carboxylic acid functional group can influence solubility through ionization, especially at elevated pH levels where it becomes more soluble in water.
  • Conformation: The molecular conformation and steric effects resulting from the diverse structural components may affect solubility behavior, further complicating the predictions.

In general, predicting the precise solubility of such a complex compound requires careful experimental investigation. The interplay of hydrophilic and hydrophobic qualities, as well as the potential for intermolecular interactions, plays a crucial role in defining how well this compound dissolves in different environments. Understanding these dynamics is essential in applications that involve this particular compound.

Interesting facts

4-(10,13-Dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoic Acid

This compound represents a fascinating structure within the field of organic chemistry, specifically in the study of complex polycyclic compounds. The intricate arrangement of atoms in this structure invites a closer examination of its potential applications and properties. Here are some intriguing points about this compound:

  • Complexity: The presence of multiple rings and functional groups in its backbone makes it a prime candidate for studies in medicinal chemistry, as such structures often exhibit diverse biological activities.
  • Natural Product Inspiration: Compounds similar to this one are often derived from or inspired by natural products, particularly those found in plants or other organic sources, promoting research into their synthesis and mechanisms of action.
  • Potential Uses: There is a growing interest in compounds like this one for their potential use in drug development, specifically in targeting cancer or other diseases due to their unique structural features.
  • Reactivity: The trioxo groups in the compound may offer interesting reactivity, making it an attractive subject for synthetic chemists looking to explore new reactions or materials.

As scientists explore this compound's characteristics, its intricate design continues to inspire new research avenues, embodying the beauty and complexity of organic chemistry. In the words of renowned chemist Linus Pauling, "The best way to have a good idea is to have lots of ideas." This compound potentially embodies this sentiment, having been born from a rich tapestry of chemical thought and exploration.

Synonyms
3,7,12-Trioxocholan-24-oic acid
7276-59-7
DTXSID00859116
4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
Maybridge3_002984
CHEMBL4093171
SCHEMBL11911897
DTXCID20207099
HMS1439H14
ALBB-025019
AKOS015998299
IDI1_014371
cholan-24-oic acid, 3,7,12-trioxo-
LS-08303
SY057949
DB-056504
4-{9a,11a-dimethyl-4,7,11-trioxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid