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Estradiol

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Identification
Molecular formula
C18H24O2
CAS number
50-28-2
IUPAC name
(8R,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
State
State

Solid at room temperature. The solid form facilitates handling in its clinical and pharmaceutical applications.

Melting point (Celsius)
176.00
Melting point (Kelvin)
449.15
Boiling point (Celsius)
780.00
Boiling point (Kelvin)
1 053.15
General information
Molecular weight
272.39g/mol
Molar mass
272.3880g/mol
Density
1.1659g/cm3
Appearence

Estradiol appears as a white to creamy white crystalline solid or powder. It's practically odorless but susceptible to air and light, undergoing degradation or color changes upon prolonged exposure.

Comment on solubility

Solubility Characteristics

The compound (8R,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one exhibits solubility properties that can be influenced by various factors such as its molecular structure and chemical interactions in different solvents. Understanding its solubility is critical for applications in pharmaceuticals and materials science.

Factors Influencing Solubility

  • Polarity: The presence of functional groups, like the hydroxyethyl moiety, can enhance solubility in polar solvents such as water.
  • Molecular Weight: Higher molecular weight compounds typically show lower solubility; however, this can vary with the specific configuration of the compound.
  • Interactions: Hydrogen bonding potential with solvents can contribute significantly to solubility. This compound’s ability to form hydrogen bonds may aid its dissolution in polar environments.

General Observations

In general, the solubility of this compound can be summarized as follows:

  1. Good solubility: Expected in alcohols and other polar organic solvents due to its hydroxy group.
  2. Limited solubility: In nonpolar solvents, which may not be able to solvate the compound effectively.
  3. Concentration dependence: The solubility may increase with temperature, particularly in polar solvents.

Overall, careful consideration of solvent choice is essential for maximizing solubility, enabling effective application in various fields.

Interesting facts

Interesting Facts about (8R,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

This complex organic compound belongs to the class of steroids and is notable for its unique stereochemistry, which heavily influences its biological activity. Here are some fascinating points about this compound:

  • Stereochemistry: The specific stereochemical configuration (including the (8R,9S,10R) and other notations) suggests that this compound possesses multiple chiral centers. Each of these centers can significantly affect the compound's interaction with biological systems.
  • Biological Relevance: Compounds like this are often investigated for their potential pharmacological applications, particularly as hormone mimetics or in the study of endocrine functions. Understanding how the structure relates to function is key in medicinal chemistry.
  • Synthetic Pathways: The synthesis of such compounds can be intricate. Scientists may utilize various organic reactions, including cyclization and functional group modifications, to achieve the desired structure. Exploring these synthetic methods opens up discussions about green chemistry and sustainable practices.
  • Analytical Techniques: To characterize and confirm the structure of this compound, chemists might employ techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography. Each technique provides unique insights into the molecular structure and properties.
  • Potential Uses: Due to its structure, which may resemble certain steroid hormones, this compound could potentially be explored for use in therapies related to hormonal imbalances or certain types of cancer.

In summary, (8R,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one is not only a fascinating molecule because of its intricate structure, but it also stands at the intersection of organic chemistry and biochemistry, highlighting the significance of chirality and biological interactions in the development of new therapeutic agents.

Synonyms
OXOGESTONE
UNII-A98264FU0C
A98264FU0C
DTXSID70189952
19-Norpregn-4-en-3-one, 20-hydroxy-, (20R)-
ossogestone
oxogestonum
Moonstone
Moonstone8134
DTXCID30112443
20beta-HYDROXY-19-NORPREGN-4-EN-3-ONE
oxogestona
Oxogestone [INN]
3643-00-3
SCHEMBL6466563
NS00120760
20.BETA.-HYDROXY-19-NORPREGN-4-EN-3-ONE
Q27273800