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Calcitriol

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Identification
Molecular formula
C27H44O3
CAS number
32222-06-3
IUPAC name
5-[2-[1-(4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
State
State

Calcitriol is a solid at room temperature. Due to its molecular structure, it remains stable and retains its solid state under normal room conditions. It is typically stored in airtight containers to maintain its stability and prevent degradation.

Melting point (Celsius)
113.00
Melting point (Kelvin)
386.15
Boiling point (Celsius)
210.00
Boiling point (Kelvin)
483.15
General information
Molecular weight
416.64g/mol
Molar mass
416.6360g/mol
Density
0.9000g/cm3
Appearence

Calcitriol appears as a white or whitish crystalline powder. Being a vitamin D derivative, it is generally colorless and occurs in solid form under normal conditions.

Comment on solubility

Solubility of 5-[2-[1-(4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol (C27H44O3)

The solubility of complex organic compounds like 5-[2-[1-(4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol can often be challenging to define due to their intricate structures. This particular compound features several structural elements that can influence its solubility:

  • Hydroxy Groups: The presence of hydroxy groups (-OH) tends to enhance solubility in polar solvents such as water.
  • Hydrophobic Characteristics: The cyclopropyl and cyclohexane rings may contribute to hydrophobic characteristics, potentially reducing water solubility.
  • Molecular Weight: With a molecular formula of C27H44O3, its relatively high molecular weight could also hinder solubility.
  • Functional Groups: The presence of multiple functional groups can create varying solubility characteristics depending on the solvent used.

Overall, one might expect the compound to be:

  • Soluble in organic solvents such as alcohols, ethers, and perhaps some aromatic hydrocarbons.
  • Less soluble or insoluble in polar solvents like water.

As a general guideline, "the more complex the compound, the more unpredictable its solubility." Therefore, experimental determination of solubility remains essential for practical applications and for understanding its behaviour in various environments.

Interesting facts

Interesting Facts about 5-[2-[1-(4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol

This compound, with a complex and intricate structure, is a fascinating example of organic chemistry. Known for its potential applications in various fields, it represents a link between traditional compounding and modern synthesis techniques. Here are some interesting highlights:

  • Structural Complexity: The molecule boasts multiple functional groups and rings, showcasing the diversity that can be achieved in organic compounds. Such complexity often correlates with unique properties and reactivities.
  • Biological Relevance: Compounds with similar frameworks have been studied for their biological activities, including potential roles in pharmacology, which makes this compound a candidate for further research.
  • Synthetic Pathways: The compound's synthesis involves multiple synthetic routes that highlight the creativity required in organic synthesis. Understanding these pathways could lead to innovations in creating similar compounds.
  • Reaction Mechanisms: The presence of various reactive sites within the molecule opens a myriad of potential reaction mechanisms that students and researchers can explore to gain deeper insights into organic reactions.

Ultimately, the study of this compound emphasizes the beauty and intricacy of organic chemistry. As chemists push the boundaries to discover new compounds, they also uncover the potential for novel applications in medicine, materials science, and beyond. As one famous chemist stated, "Chemistry is not just about discovering new compounds; it's about understanding the language of nature itself." This compound embodies that very essence and leads to exciting explorations in the field.

Synonyms
112965-21-6
113082-99-8
112828-00-9
DTXSID80861217
Q27215852
(20xi)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol
5-[2-[1-(5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
5-{2-[1-(5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyl-hexahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol