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Calcitriol

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Identification
Molecular formula
C27H44O3
CAS number
32222-06-3
IUPAC name
(1R)-3-[2-[(1R,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
State
State

Calcitriol is in a solid state at room temperature.

Melting point (Celsius)
113.00
Melting point (Kelvin)
386.00
Boiling point (Celsius)
230.00
Boiling point (Kelvin)
503.00
General information
Molecular weight
416.65g/mol
Molar mass
416.6460g/mol
Density
1.0364g/cm3
Appearence

Calcitriol commonly appears as a white or almost white crystalline powder. It is sensitive to air, light, and moisture, requiring storage in an opaque container under inert conditions.

Comment on solubility

Solubility of (1R)-3-[2-[(1R,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol

The solubility of the compound (1R)-3-[2-[(1R,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol is an intriguing topic due to its complex structure. Here are some key points regarding its solubility:

  • Polarity: The presence of hydroxyl groups often indicates a capacity for hydrogen bonding, enhancing solubility in polar solvents such as water.
  • Hydrophobic Regions: Conversely, the multiple hydrocarbon chains suggest hydrophobic characteristics, which could restrict solubility in polar solvents.
  • Interaction with Solvents: It may exhibit varying solubility in different organic solvents. For instance, non-polar solvents like hexane might dissolve the compound better due to its hydrophobic nature.
  • Temperature Effects: Solubility may increase with temperature for many organic compounds, which could also apply here—higher temperatures might enhance its solubility in specific solvents.

In essence, while the complexity of the compound presents unique challenges, the interplay between its hydrophilic and hydrophobic characteristics can lead to varying solubility profiles depending on environmental factors. As such, determining the solubility of this compound requires a careful examination of its structural attributes and the solvent conditions.

Interesting facts

Interesting Facts about (1R)-3-[2-[(1R,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol

This fascinating compound boasts a complex structure that reflects the intricate nature of organic chemistry. Its long IUPAC name hints at the numerous functional groups and stereocenters present within, making it a compound of interest for chemists probing into molecular interactions.

Key Characteristics

  • Stereochemistry: This compound has multiple chiral centers, resulting in a variety of possible stereoisomers. Understanding these configurations is crucial, as they can significantly influence the compound's biological activity.
  • Applications: Compounds like this often find their utility in fields such as pharmaceuticals, where specific stereochemical configurations can lead to vastly different therapeutic effects.
  • Structure-Activity Relationship (SAR): The intricate design of this compound allows for detailed studies on how structural variations can affect biological activity. This is central to drug design, where optimizing these interactions can lead to more effective treatments.

Environmental and Biological Relevance

Another intriguing aspect of this molecule is its potential environmental and biological relevance. Compounds with similar structures are often explored for:

  • Biodegradability: Understanding the degradation pathways can provide insights into how similar compounds behave in natural environments.
  • Pharmacodynamics: Investigating its interactions with biological receptors can reveal important information about its medicinal properties.

In conclusion, the study of (1R)-3-[2-[(1R,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol offers valuable insights into the delicate balance of structure and function in chemistry. As researchers continue to delve into its properties, they are likely to uncover even more layers of complexity that underline the marvel of organic molecules.