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Methotrexate

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Identification
Molecular formula
C20H22N8O5
CAS number
59-05-2
IUPAC name
2-[[5-[5-[4-(3-amino-6,7-dimethyl-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid
State
State

At room temperature, methotrexate is typically found as a solid. It is available as either a powder or in tablet form for medical use. It is synthesized as a stable compound for pharmacological applications.

Melting point (Celsius)
234.00
Melting point (Kelvin)
507.15
Boiling point (Celsius)
520.00
Boiling point (Kelvin)
793.15
General information
Molecular weight
454.45g/mol
Molar mass
454.4450g/mol
Density
1.1100g/cm3
Appearence

Methotrexate appears as a yellow or orange crystalline powder. It is typically used in solid form as tablets or in injectable solutions. The solid form is stable under normal conditions of storage and use.

Comment on solubility

Solubility of 2-[[5-[5-[4-(3-amino-6,7-dimethyl-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid (C20H22N8O5)

The solubility of complex organic compounds like 2-[[5-[5-[4-(3-amino-6,7-dimethyl-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid can be influenced by various factors:

  • Molecular Structure: Compounds with large, complex structures may exhibit lower solubility due to steric hindrance.
  • Polarity: The presence of polar functional groups, such as hydroxyl (-OH) and amino (-NH2), can enhance solubility in polar solvents like water.
  • pH Dependence: In aqueous solutions, the ionization of functional groups can affect solubility; for instance, acidic or basic conditions can lead to a higher degree of ionization, enhancing solubility.
  • Interactions: Hydrogen bonding and dipole-dipole interactions play a significant role in solubility; therefore, the ability of a compound to engage in these interactions can improve its solubility profile.

In conclusion, the solubility of 2-[[5-[5-[4-(3-amino-6,7-dimethyl-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid is likely to be influenced by its unique molecular characteristics and the solvent environment. "Understanding these factors can pave the way for better formulation and application in various fields."

Interesting facts

Interesting Facts about 2-[[5-[5-[4-(3-amino-6,7-dimethyl-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid

This compound is a complex organic molecule with a variety of functional groups, which contributes to its unique properties and potential applications. Here are some intriguing aspects of this compound:

  • Structural Complexity: The molecule contains multiple rings and functional groups, showcasing the rich diversity of organic chemistry.
  • Biological Relevance: It is an important structure in medicinal chemistry, as it may play a role in drug design and development, particularly in targeting specific biological pathways.
  • Pharmacophore Elements: The presence of both nitrogenous and hydroxyl functional groups suggests possible interactions with biological tissues, which could influence its pharmacological profile.
  • Research Potential: Due to its intricate structure, it could be a subject of extensive research, potentially leading to new discoveries in fields like biochemistry and molecular biology.
  • Environmental Stability: Understanding the stability and reactivity of such compounds is critical, especially in developing sustainable practices in chemistry.

Researchers often quote the importance of studying complex molecules: "In the realm of chemistry, complexity often equates to functionality." This compound is a prime example, demonstrating that intricate structures can lead to significant scientific advancements.

As a scientist delving into this compound, one might explore its synthesis pathways, reactivity under various conditions, and its interactions with other chemical species. The journey through its molecular nuances can reveal much about the interplay between structure and function in chemical compounds.