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Paclitaxel

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Identification
Molecular formula
C47H51NO14
CAS number
33069-62-4
IUPAC name
(12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl)methyl 2-methylbut-2-enoate
State
State

At room temperature, paclitaxel is in a solid state.

Melting point (Celsius)
213.00
Melting point (Kelvin)
486.15
Boiling point (Celsius)
780.00
Boiling point (Kelvin)
1 053.15
General information
Molecular weight
853.91g/mol
Molar mass
853.9060g/mol
Density
1.6500g/cm3
Appearence

Paclitaxel is a white to off-white crystalline powder.

Comment on solubility

Solubility of 12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl)methyl 2-methylbut-2-enoate (C47H51NO14)

The solubility of the compound C47H51NO14 is a complex topic due to its intricate molecular structure. Here are some important considerations:

  • Polarity: This compound contains multiple functional groups that can influence its overall polarity. The presence of hydroxyl (–OH) and methoxy (–OCH3) groups suggests that the compound may have some degree of affinity for polar solvents, potentially increasing its solubility in polar media.
  • Hydrogen Bonding: Due to the hydroxyl groups, this compound may engage in hydrogen bonding, which could enhance its solubility in solvents capable of forming similar interactions.
  • Hydrophobic Regions: The presence of long carbon chains and multiple functional groups creates both hydrophilic and hydrophobic regions within the molecule. This dual nature can complicate solubility behavior, suggesting limited solubility in pure water, yet potential solubility in organic solvents like ethanol or acetone.
  • Concentration Effects: At lower concentrations, the solubility may be more favorable due to reduced intermolecular forces; however, at higher concentrations, aggregation or crystallization could occur, leading to decreased solubility.
  • pH Dependency: As with many organic compounds, solubility may also be influenced by the pH of the solution, potentially behaving differently in acidic or basic environments.

In summary, while this compound may exhibit some solubility in polar solvents due to its polar functional groups and ability to form hydrogen bonds, its hydrophobic aspects could limit solubility in aqueous environments. Thus, a thorough experimental investigation is suggested to ascertain the specific solubility characteristics.

Interesting facts

Interesting Facts about 12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl)methyl 2-methylbut-2-enoate

This complex compound embodies a fascinating array of structural features that are sure to pique the interest of any chemist. Here are some intriguing aspects of this unique molecular architecture:

  • Multiple Functional Groups: The presence of hydroxyl (–OH), methoxy (–OCH3), and ester (–COOCH2) groups introduces significant versatility in reactivity and potential applications.
  • Diverse Functionality: As a diketone with numerous functional groups, this compound can participate in various chemical reactions, making it an excellent candidate for organic synthesis and medicinal chemistry.
  • Pentacyclic Structure: The unique pentacyclic arrangement not only contributes to its structural stability but also provides insight into its potential biological activity. Such structures are often found in nature within alkaloids and other medicinal compounds.
  • Potential Biological Applications: Given its complex structure, there is a likelihood that this compound could exhibit interesting biological activities, including anti-inflammatory or antimicrobial properties, akin to other naturally occurring compounds with similar arrangements.

As with many complex organic compounds, the study of 12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl)methyl 2-methylbut-2-enoate extends beyond its molecular formula—it invites us to explore new pathways for synthesis, along with its potential applications in pharmacology and materials science.

In the world of chemistry, compounds like this represent the bridge between theoretical research and real-world application, underscoring the intricate beauty of molecular design.