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Cladribine

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Identification
Molecular formula
C10H12ClN5O3
CAS number
4291-63-8
IUPAC name
[5-(6-chloro-1H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
State
State

Cladribine is typically in a solid state at room temperature.

Melting point (Celsius)
220.00
Melting point (Kelvin)
493.15
Boiling point (Celsius)
420.00
Boiling point (Kelvin)
693.15
General information
Molecular weight
285.69g/mol
Molar mass
285.6840g/mol
Density
2.1400g/cm3
Appearence

Cladribine is a white to off-white powder.

Comment on solubility

Solubility of [5-(6-chloro-1H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate

The solubility of the compound with the formula C10H12ClN5O3, known as [5-(6-chloro-1H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate, can exhibit interesting characteristics.

Factors Affecting Solubility

Several factors play a crucial role in determining the solubility of this compound:

  • Polarity: The presence of hydroxyl groups and a phosphate moiety suggests a degree of polarity, which may enhance solubility in polar solvents such as water.
  • Hydrogen Bonding: The ability to form hydrogen bonds with surrounding molecules can significantly influence overall solubility, particularly in aqueous solutions.
  • Ionization: Given the dihydrogen phosphate group, ionization may occur in solution, potentially increasing solubility in polar environments.
  • Presence of Chlorine: The presence of chlorine may impact the solubility characteristics by influencing intermolecular interactions.

Expected Solubility Properties

In general, compounds containing similar functional groups to this molecule are likely to show the following solubility traits:

  • Good solubility in water: Due to the presence of polar functional groups.
  • Moderate to low solubility in organic solvents: Such as hydrocarbons, owing to their non-polar nature.

Understanding the solubility of this compound is essential for its applications in various fields, including pharmaceuticals and biochemistry. The interplay of its structural features and external conditions ultimately determines how it interacts in solution, showcasing the fascinating complexities of chemical solubility.

Interesting facts

Interesting Facts about [5-(6-chloro-1H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate

This compound, known for its intricate structure, is a fascinating subject of study due to its biological significance and potential applications in medicinal chemistry. Here are some noteworthy aspects:

  • Biological Relevance: The presence of a purine moiety in its structure highlights its potential role in nucleic acid metabolism. Purines are essential components of DNA and RNA, making this compound relevant in genetic research and molecular biology.
  • Potential Therapeutic Use: The incorporation of dihydroxy-tetrahydrofuran can influence the compound's interaction with biological systems, possibly leading to novel therapeutic agents. Compounds with similar structures have been explored for their antiviral properties.
  • Chlorine Atom Impact: The chlorine substituent introduces unique reactivity patterns and can enhance the biological activity of the compound. Chlorinated compounds often exhibit increased lipophilicity, which can influence their bioavailability.
  • Phosphate Group Significance: The dihydrogen phosphate group suggests potential roles as a phosphate donor or in signal transduction pathways, critical for various metabolic processes in living organisms.
  • Structure-Activity Relationship (SAR): Understanding how structural differences affect the biological activity of compounds like this one is crucial. Researchers can modify various functional groups to optimize efficacy and minimize toxicity.

In summary, [5-(6-chloro-1H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate showcases how structural complexity can intersect with biological function, opening pathways to innovative scientific inquiry.