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Estrone sulfate

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Identification
Molecular formula
C18H22O5S
CAS number
438-67-5
IUPAC name
[(9S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;piperazine
State
State

Estrone sulfate is typically found in a solid state at room temperature, appearing as a crystalline powder.

Melting point (Celsius)
254.00
Melting point (Kelvin)
527.15
Boiling point (Celsius)
308.00
Boiling point (Kelvin)
581.15
General information
Molecular weight
350.47g/mol
Molar mass
350.4740g/mol
Density
1.2800g/cm3
Appearence

Estrone sulfate appears as a white to off-white crystalline powder.

Comment on solubility

Solubility Insights

The solubility of the compound [(9S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopentaphenanthren-3-yl] hydrogen sulfate in various solvents is an intriguing aspect to consider. As with many organosulfur compounds, solubility can be influenced by various factors that are crucial for understanding its behavior in different environments.

Factors Influencing Solubility:

  • Polarity: The presence of the hydrogen sulfate group typically enhances solubility in polar solvents such as water. It facilitates ionization, allowing the molecule to interact more readily with other polar molecules.
  • Hydrogen Bonding: Compounds able to engage in hydrogen bonding often exhibit increased solubility in aqueous environments. The hydrogen sulfate moiety can form hydrogen bonds with water, enhancing solubility.
  • Molecular Structure: The complex polycyclic structure may result in limited solubility in non-polar solvents. This is due to steric hindrances and the presence of multiple hydrophobic regions.

In a practical context, one might observe:

  • This compound is typically more soluble in polar solvents compared to non-polar solvents.
  • Its solubility can be affected by temperature and pH, which may alter the ionization of the hydrogen sulfate group.

In summary, while the presence of the hydrogen sulfate component suggests favorable solubility traits in polar conditions, the overall structural complexity must be taken into account when predicting the solubility behavior of this compound in various solvents.

Interesting facts

Interesting Facts about the Compound

This fascinating compound, known as (9S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl hydrogen sulfate; piperazine, boasts several intriguing attributes that capture the interest of both chemists and students alike.

1. Structural Complexity

The compound features a complex structure with multiple interconnected rings, making it an excellent example of a polycyclic molecule. This complexity plays a critical role in its biological activity and interaction with biological systems.

2. Biological Significance

Compounds similar to this one are often investigated for their potential therapeutic applications. They may interact with various biological pathways, which can lead to promising implications in medicinal chemistry. The structural framework allows for the exploration of its effects on:

  • Hormonal regulation
  • Cancer treatment
  • Antimicrobial activity

3. Stereochemistry

The compound has specific stereochemical configurations, denoted by the S notation in its name. This stereochemistry is crucial, as even subtle changes can lead to significant differences in functionality and biological effects. As stated by renowned chemist Linus Pauling, "The structure of a substance is a crucial part of its properties."

4. Synthetic Challenges

Synthesizing such complex compounds poses unique challenges in the laboratory. Chemists must carefully navigate through numerous steps to achieve the desired product. Techniques often employed include:

  • Multi-step synthesis
  • Chirality manipulation
  • Advanced purification methods

5. Interactions with Piperazine

The incorporation of piperazine in this compound enhances its characteristics. Piperazine is known for improving solubility and modifying pharmacokinetic properties, which can have a positive impact on bioavailability and efficacy in medicinal applications.

In summary, this compound exemplifies the intricate balance of chemical structure, biological significance, and synthetic challenges, making it a rich subject of study in the field of chemistry.

Synonyms
DTXSID60951680
29080-16-8
17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1)