Calcitriol | Solubility of Things

Identification

Molecular formula

C₂₇H₄₄O₃

CAS number

32222-06-3

IUPAC name

[2-[(6S,8S,10R,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dihydrogen phosphate

State

At room temperature, calcitriol is a solid and typically handled as a powder form for pharmacological uses.

Melting point (Celsius)

120.00

Melting point (Kelvin)

393.15

Boiling point (Celsius)

290.00

Boiling point (Kelvin)

563.15

General information

Molecular weight

416.64g/mol

Molar mass

416.6350g/mol

Density

1.1201g/cm³

Appearence

Calcitriol presents as a colorless or white crystalline substance. It is odorless and can come in the form of crystals or crystalline powder.

Comment on solubility

Solubility of 2-[[6S,8S,10R,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dihydrogen phosphate

The solubility of 2-[[6S,8S,10R,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dihydrogen phosphate varies significantly depending on several factors:

Polarity: This compound is expected to exhibit polar characteristics due to the presence of phosphate groups, which generally enhances solubility in polar solvents such as water.
Hydrogen Bonding: The hydroxyl (-OH) groups in the structure can engage in hydrogen bonding, which may further facilitate solubility in aqueous solutions.
Chain Length: The bulky cyclopenta[a]phenanthrene structure may partially hinder solubility in non-polar solvents, indicating limited solubility in organic solvents.

As a result, one could anticipate that this compound will be:

Relatively soluble in water due to its phosphate moieties and hydroxyl groups.
Poorly soluble in most non-polar organic solvents.

In practical applications, understanding the solubility of such complex compounds is critical for their effectiveness in biochemical assays and formulations, since the solubility profile can greatly influence bioavailability and overall activity.

Interesting facts

Interesting Facts About 2-[(6S,8S,10R,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl dihydrogen phosphate

The compound 2-[(6S,8S,10R,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl dihydrogen phosphate is noteworthy for several reasons:

Biological significance: This compound exhibits potential as a bioactive molecule, which can influence various biochemical pathways in organisms, making it a subject of interest in pharmacology.
Chemical structure: The complex stereochemistry, illustrated by multiple chiral centers, contributes to its unique properties and interactions, posing intriguing challenges in synthesis and analytical identification.
Phosphorylation role: As a dihydrogen phosphate derivative, it suggests potential functions in cellular signaling, where phosphate groups play critical roles in signaling cascades.
Applications in drug design: Due to its structural characteristics, it could serve as a lead compound or scaffold for developing new therapeutics aimed at diverse diseases.
Synthetic challenges: The synthesis of such complex molecular architectures often requires sophisticated organic reactions and strategies, reflecting the creativity and precision in modern chemistry.

In the words of renowned chemist Robert H. Grubbs, "The molecules we work with are like characters in a great story, each with its unique role and personality." Indeed, compounds like this one exemplify the intricate tales hidden within the realm of chemistry that continue to inspire researchers and students alike.

As the study of this compound progresses, it offers opportunities for exciting discoveries, pushing the boundaries of our understanding in fields such as medicinal chemistry and drug development.