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Fingolimod

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Identification
Molecular formula
C19H33NO4
CAS number
162359-56-0
IUPAC name
2-(2-amino-3-hydroxy-octadec-4-enoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
State
State

At room temperature, fingolimod is typically in a solid state. It is commonly supplied as a powder.

Melting point (Celsius)
102.00
Melting point (Kelvin)
375.15
Boiling point (Celsius)
146.00
Boiling point (Kelvin)
419.15
General information
Molecular weight
343.47g/mol
Molar mass
343.4690g/mol
Density
0.3815g/cm3
Appearence

Fingolimod is a white to off-white crystalline powder. It is often used in its hydrochloride salt form, which enhances its stability and solubility compared to the free base.

Comment on solubility

Solubility of 2-(2-amino-3-hydroxy-octadec-4-enoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

The solubility of the compound with the formula C19H33NO4 can be influenced by its complex structure and functional groups. Its unique characteristics suggest several solubility behaviors:

  • Polarity: The presence of amino and hydroxyl groups generally increases polarity, which can lead to enhanced solubility in polar solvents, such as water.
  • Hydrophobic Regions: The long hydrocarbon chain (-octadec-) indicates that there are also hydrophobic characteristics, suggesting that the compound may exhibit lower solubility in non-polar solvents.
  • Hydrogen Bonding: The numerous hydroxyl groups present in the structure can participate in hydrogen bonding with water molecules, which typically helps with solubility.

In summary, while the compound is likely to show good solubility in polar solvents due to its functional groups, the hydrophobic nature of the extended carbon chain may create challenges in non-polar solvents. Thus, understanding the balance between these competing factors is vital for predicting its overall solubility behavior.

Interesting facts

Interesting Facts about 2-(2-amino-3-hydroxy-octadec-4-enoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

The compound 2-(2-amino-3-hydroxy-octadec-4-enoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol is a fascinating chemical structure that showcases the intricate relationship between organic chemistry and biological activity. Here are some intriguing insights about this complex molecule:

  • Structural Complexity: This compound exhibits a multi-ring structure that contributes to its unique properties. The presence of both amino and hydroxy groups enhances its reactivity and solubility in biological systems.
  • Potential Biological Applications: The structural features suggest potential roles in pharmaceuticals, particularly as ligands that may interact with biological receptors.
  • Defining Groups: The hydroxymethyl group on the tetrahydropyran moiety plays a key role in mediating interactions with biological macromolecules, enhancing its potential as a targeting agent.
  • Source of Derivation: The hydroxy and amino groups enhance the compound's capability to form hydrogen bonds, crucial for biological activities, including enzyme-substrate interactions.
  • Natural Product Inspiration: Many compounds with similar structures are derived from natural sources and are known to exhibit significant biochemical properties, including antioxidant and anti-inflammatory activities.

As a scientist or chemistry student, studying such compounds provides vital insights into the interconnectedness of molecular geometry and its implications for functionality in biological systems. The rich chemistry afforded by this compound invites further exploration into its potential applications and mechanisms of action.

Synonyms
Glucosyl-C18-sphingosine
DTXSID80862885
2-(2-amino-3-hydroxyoctadec-4-enoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-Amino-3-hydroxyoctadec-4-en-1-yl hexopyranoside