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Estrone-3-sulfate

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Identification
Molecular formula
C18H22O5S
CAS number
481-97-0
IUPAC name
3-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethoxy]carbonylbenzenesulfonic acid
State
State
Solid at room temperature, typically presented as a crystalline powder.
Melting point (Celsius)
157.00
Melting point (Kelvin)
430.00
Boiling point (Celsius)
339.00
Boiling point (Kelvin)
612.00
General information
Molecular weight
414.54g/mol
Molar mass
414.5370g/mol
Density
1.3200g/cm3
Appearence

Estrone-3-sulfate is a white to off-white powder, which is typically crystalline in nature. It is odorless and stable under standard conditions. The compound may exhibit varying particle sizes when provided in different formulations.

Comment on solubility

Solubility Characteristics

When considering the solubility of the compound 3-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopentaphenanthren-17-yl)-2-oxo-ethoxy]carbonylbenzenesulfonic acid, several key factors come into play:

  • Polarity: The presence of multiple hydroxyl groups typically increases the polarity of the molecule, which can enhance its solubility in polar solvents such as water.
  • Functional Groups: The sulfonic acid group is known for its high solubility in water due to its ability to ionize, creating charged species that interact favorably with the solvent.
  • Hydrogen Bonding: The compound’s ability to form hydrogen bonds because of the hydroxyl groups may also contribute to increased solubility in appropriate solvents.
  • Alkyl Chains: The dimethyl and octahydro groups may exhibit hydrophobic properties, which could affect overall solubility depending on the solvent used.

In summary, the solubility of this compound is likely to be influenced by its structural characteristics, with the potential for good solubility in polar solvents while exhibiting limited solubility in non-polar environments. As a general guideline, one might expect:

  • High solubility in aqueous solutions.
  • Limited solubility in non-polar organic solvents.

Understanding these solubility attributes can play a crucial role in applications, formulation, and handling of the compound in various chemical contexts.

Interesting facts

Interesting Facts about 3-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethoxy]carbonylbenzenesulfonic acid

This intriguing compound is a member of a class of compounds known for their structural complexity and potential biological activities. The name itself reveals a lot about its rich chemical composition and possible applications. Here are some fascinating aspects of this compound:

  • Structural Complexity: The presence of multiple functional groups, such as hydroxyl and carbonyl, signifies a structure that can potentially engage in various biochemical interactions.
  • Potential Biological Activity: Compounds of this genre are often studied for their effects on health. Given the steroid-like structure indicated by the cyclopenta[a]phenanthrene moiety, it might exhibit hormone-like properties.
  • Synthetic Pathways: The synthesis of this compound likely involves multiple steps, including the formation of the sulfonic acid group and etherification of the hydroxyl functionalities, making it a topic of interest for organic chemists.
  • Applications: Such compounds may have potential applications in pharmaceuticals, particularly as drug components or intermediates due to their biological activity.
  • Research Significance: Due to its complex nature, studying this compound can contribute valuable insights into organic synthesis, medicinal chemistry, and the development of new therapeutic agents.

In summary, the exploration of 3-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethoxy]carbonylbenzenesulfonic acid not only exemplifies the intricate beauty of chemical compounds but also opens doors to potential innovations in health sciences and organic chemistry.