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Abietic acid derivative

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Identification
Molecular formula
C36H52O10
CAS number
34131-99-2
IUPAC name
[(2S,5R)-5-hydroxy-2-[[(1R,3S,5S,7S,10S,14R,18R)-18-hydroxy-10,14-dimethyl-15-(5-oxo-2H-furan-3-yl)-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-7-yl]oxy]-4-methoxy-6-methyl-tetrahydropyran-3-yl] acetate
State
State

At room temperature, this compound is typically a solid, appearing as a crystalline powder. It maintains its solid state due to the arrangement of its molecules and intermolecular forces.

Melting point (Celsius)
138.00
Melting point (Kelvin)
411.00
Boiling point (Celsius)
325.00
Boiling point (Kelvin)
598.00
General information
Molecular weight
636.80g/mol
Molar mass
636.7960g/mol
Density
1.2300g/cm3
Appearence

The compound appears as a white crystalline powder, sometimes presenting as a solid with an off-white shade. It is often characterized by its crystalline structure and solid form at room temperature.

Comment on solubility

Solubility of the Compound

The solubility of the compound [(2S,5R)-5-hydroxy-2-[[(1R,3S,5S,7S,10S,14R,18R)-18-hydroxy-10,14-dimethyl-15-(5-oxo-2H-furan-3-yl)-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-7-yl]oxy]-4-methoxy-6-methyl-tetrahydropyran-3-yl] acetate can vary significantly due to its complex structure. Here are some key points to consider:

  • Polarity: The presence of hydroxyl (-OH) groups in the structure may enhance solubility in polar solvents, such as water.
  • Hydrophobic Regions: Conversely, the presence of long hydrophobic alkyl chains could limit solubility in polar solvents.
  • Solvent Dependency: This compound may demonstrate higher solubility in organic solvents like ethanol or DMSO compared to water.
  • Temperature Factors: Solubility could increase with temperature; hence, performing solubility tests at various temperatures may provide further insights.

Overall, understanding the solubility behavior of this compound is crucial for its application in pharmaceuticals and other industries. As a general note, “the solubility characteristics are influenced by both the chemical structure and the nature of the solvent used.” A careful analysis allows for better predictions and tailoring of the compound's usage in various formulations.

Interesting facts

Exploring the Compound: (2S,5R)-5-hydroxy-2-[[(1R,3S,5S,7S,10S,14R,18R)-18-hydroxy-10,14-dimethyl-15-(5-oxo-2H-furan-3-yl)-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-7-yl]oxy]-4-methoxy-6-methyl-tetrahydropyran-3-yl acetate

This complex organic compound is a stellar example of the intricate structures and functionality within the realm of organic chemistry. Here are a few interesting facts about it:

  • Structural Complexity: The compound features a unique pentacyclic framework, which allows for various conformations and reactivities. Such complexity often leads to interesting biological activities.
  • Biological Significance: Compounds with similar structures are frequently found in natural products, especially in bioactive metabolites derived from plants. They may exhibit a range of properties, from antimicrobial to anticancer activities.
  • Stereochemistry: The stereochemical descriptors (S and R) in the name highlight the compound's chiral centers. This stereochemistry can greatly influence the biological interactions of the molecule, emphasizing the importance of chirality in drug design.
  • Functional Groups: The presence of hydroxy, methoxy, and acetate functional groups suggests potential for hydrogen bonding, which can affect solubility and interaction with biological systems.
  • Research Applications: Compounds of this nature are often subject to ongoing research in medicinal chemistry. Scientists are continually exploring their potential therapeutic uses and optimizing their efficacy.

As noted by many chemists, "The beauty of chemistry lies in the complexities of its molecules." This compound serves as a vivid reminder of that beauty, presenting challenges and opportunities for innovative applications in chemical research.

Synonyms
DTXSID30948249
3-[(2-O-Acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-7,8-epoxycard-20(22)-enolide