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Estrone sulfate

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Identification
Molecular formula
C18H22O5
CAS number
438-67-5
IUPAC name
[2-[(5-carboxy-15-hydroxy-9-methyl-14-methylene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxy-tetrahydropyran-4-yl] sulfate
State
State

At room temperature, estrone sulfate is in a solid state. It is stable under normal conditions and has low solubility in water. The compound is sensitive to light and heat, which may cause degradation if not stored properly.

Melting point (Celsius)
258.00
Melting point (Kelvin)
531.15
Boiling point (Celsius)
285.00
Boiling point (Kelvin)
558.15
General information
Molecular weight
395.50g/mol
Molar mass
395.5040g/mol
Density
1.5000g/cm3
Appearence

Estrone sulfate appears as a white to off-white crystalline powder. It is typically odorless and has a bitter taste. The compound's crystalline structure can be observed under a microscope, revealing well-defined crystals.

Comment on solubility

Solubility of 2-[(5-carboxy-15-hydroxy-9-methyl-14-methylene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxy-tetrahydropyran-4-yl sulfate (C18H22O5)

The solubility of this compound is influenced by several structural factors related to its unique chemical composition. Here are some key points to consider:

  • Functional Groups: The presence of sulfate and carboxylic acid groups typically enhances water solubility due to their ability to form hydrogen bonds with water molecules.
  • Hydroxyl Groups: The multiple hydroxymethyl groups can also contribute to solubility, making the compound more hydrophilic overall.
  • Hydrophobic Regions: Despite its hydrophilic portions, the tetracyclic structure may introduce hydrophobic characteristics, potentially reducing solubility in aqueous solutions.
  • Temperature Dependence: Solubility may vary significantly with temperature, as increased temperatures generally enhance solubility for many compounds.

In conclusion, while certain functional groups in 2-[(5-carboxy-15-hydroxy-9-methyl-14-methylene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxy-tetrahydropyran-4-yl sulfate suggest a degree of solubility in polar solvents, the presence of its larger hydrophobic regions may complicate this solubility expression. Therefore, empirical testing is often necessary to determine its exact solubility characteristics in various solvents.

Interesting facts

Interesting Facts about 2-[(5-carboxy-15-hydroxy-9-methyl-14-methylene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxy-tetrahydropyran-4-yl] sulfate

This fascinating compound, known for its intricate structure and numerous functional groups, plays a noteworthy role in various scientific domains. Here are some compelling aspects that highlight its significance:

  • Tetracyclic Structure: The compound features a unique tetracyclic core, which contributes to its stability and biological activity through conformational rigidity.
  • Carboxylic and Hydroxy Groups: These functional groups enhance reactivity, allowing for potential interactions in biochemical pathways. They can also facilitate solubility in polar environments, making this compound interesting for pharmacological studies.
  • Potential Biological Applications: Due to its complex architecture and the presence of sulfonate and carboxylate groups, there is potential for this compound to be involved in drug design, particularly in targeting specific proteins or enzymes in metabolism.
  • Natural Product Derivation: Compounds with similar structures are often derived from natural products, which can inspire synthetic pathways in organic chemistry and natural product synthesis.
  • Integration of Sulfate Moieties: The sulfate group can provide unique properties such as increased negative charge, which may influence interactions with biological membranes and proteins.

In conclusion, the study of this compound showcases not just its chemical intricacies but also its broader implications in medicinal chemistry and biochemistry. As researchers continue to explore the vast terrain of chemical compounds like this one, the potential for new discoveries remains boundless.