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Docetaxel

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Identification
Molecular formula
C43H53NO14
CAS number
114977-28-5
IUPAC name
1-[2-[8-(2-amino-2-oxo-ethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxy-ethyl]-N-[1-[(1-carbamoyl-2-methyl-propyl)carbamoyl]-2-methyl-butyl]pyrrolidine-2-carboxamide
State
State

At room temperature, Docetaxel is typically in a solid state.

Melting point (Celsius)
232.00
Melting point (Kelvin)
505.15
Boiling point (Celsius)
819.70
Boiling point (Kelvin)
1 092.85
General information
Molecular weight
807.88g/mol
Molar mass
861.9060g/mol
Density
1.3900g/cm3
Appearence

Docetaxel is a white to off-white crystalline powder. It is practically insoluble in water, soluble in alcohols and highly lipophilic.

Comment on solubility

Solubility of 1-[2-[8-(2-amino-2-oxo-ethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxy-ethyl]-N-[1-[(1-carbamoyl-2-methyl-propyl)carbamoyl]-2-methyl-butyl]pyrrolidine-2-carboxamide (C43H53NO14)

This compound presents an intriguing case with respect to its solubility characteristics. Solubility greatly influences the behavior of compounds in various environments, particularly in biological systems. The solubility of this specific compound can be examined through several key points:

  • Polarity: The compound’s multiple functional groups, including amides and hydroxyls, usually indicate a degree of polarity, which may enhance its solubility in polar solvents like water.
  • Hydrogen Bonding: The presence of amine and hydroxyl groups suggests that significant hydrogen bonding can occur, possibly leading to increased solubility.
  • Molecular Size: With a large molecular structure, the overall size can impede solubility. Generally, larger and bulkier molecules tend to have lower solubility due to difficulties in interacting with solvent molecules.
  • Solvent Compatibility: Depending on the solvent used, the solubility may vary significantly. For instance:
    • Aqueous solutions: May dissolve better in the presence of salts or co-solvents.
    • Non-polar solvents: Likely to be less soluble due to the compound's polar nature.

In conclusion, while the theoretical insights into solubility can suggest possibilities, experimental validation is essential. As is often stated in chemistry, the phrase “solubility is a reflection of structure” rings particularly true for complex organic compounds like this one. Further studies could provide valuable insights into its practical applications and bioavailability.

Interesting facts

Interesting Facts about 1-[2-[8-(2-amino-2-oxo-ethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxy-ethyl]-N-[1-[(1-carbamoyl-2-methyl-propyl)carbamoyl]-2-methyl-butyl]pyrrolidine-2-carboxamide

This compound is a fascinating example of a complex organic molecule, rich in structural diversity and functionality. Here are some intriguing aspects:

  • Complex Structure: The presence of multiple functional groups, including amines, carboxamides, and dioxo structures, contributes to its intricate architecture and potential reactivity.
  • Biological Relevance: Compounds like this are often studied for their biological activity. Some derivatives can exhibit pharmacological properties, making them of interest in drug discovery and development.
  • Diazabicyclic Framework: The unique bicyclic structure in this compound can influence its electronic properties and steric interactions, which are crucial in understanding how the molecule behaves in biological systems.
  • Synthetic Challenges: The synthesis of such complex molecules can present significant challenges, often requiring advanced techniques in organic synthesis and may involve multiple synthetic steps.
  • Potential Applications: Given its chemical structure, this compound may have applications in fields like materials science, pharmaceuticals, and agrochemicals.

As a scientist or chemistry student, exploring molecules like this offers a unique opportunity to understand the balance between complexity and utility in organic chemistry. The study of such compounds not only enhances our knowledge of chemical behavior but also opens doors to innovative applications in various scientific domains.

In the words of renowned chemist Linus Pauling, "The best way to have a good idea is to have lots of ideas." Exploring compounds like this can lead to groundbreaking discoveries!