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Coumarin-based derivative

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Identification
Molecular formula
C33H36N4O12
CAS number
138744-08-6
IUPAC name
4-[(2-acetamido-3-carboxy-propanoyl)amino]-5-[[1-[[1-(carboxymethyl)-2-[(4-methyl-2-oxo-chromen-7-yl)amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid
State
State
At room temperature, the compound is a solid and maintains stability under standard conditions.
Melting point (Celsius)
156.00
Melting point (Kelvin)
429.15
Boiling point (Celsius)
230.00
Boiling point (Kelvin)
503.15
General information
Molecular weight
721.76g/mol
Molar mass
721.7600g/mol
Density
1.3500g/cm3
Appearence
The compound appears as a light to off-white crystalline powder, which is consistent with many small-molecule organic compounds. It exhibits typical characteristics when exposed to different forms of light and has a crystalline structure.
Comment on solubility

Solubility of 4-[(2-acetamido-3-carboxy-propanoyl)amino]-5-[[1-[[1-(carboxymethyl)-2-[(4-methyl-2-oxo-chromen-7-yl)amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid

The solubility of the compound with the formula C33H36N4O12 can be attributed to its complex structure and varied functional groups. Here are some key points regarding its solubility:

  • Polar Groups: The presence of multiple carboxylic acid and amine functional groups typically enhances solubility in polar solvents, particularly water.
  • Hydrogen Bonding: The compound contains nitrogen and oxygen atoms capable of forming hydrogen bonds, which can significantly increase solubility in aqueous environments.
  • Hydrophobic Regions: On the other hand, the structural components that are hydrophobic can create steric hindrances, potentially limiting solubility in non-polar solvents.
  • pH Dependence: Its solubility might also vary with pH, where protonation and deprotonation of the acidic and basic groups could alter its overall polarity.

In summary, the solubility of this compound is intricate and likely exhibits significant variability based on the solvent environment, pH, and specific intermolecular interactions. Overall, compounds with such multifunctional traits often create unique solubility profiles, making them fascinating for further study.

Interesting facts

Interesting Facts about 4-[(2-Acetamido-3-carboxy-propanoyl)amino]-5-[[1-[[1-(carboxymethyl)-2-[(4-methyl-2-oxo-chromen-7-yl)amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid

The compound known as 4-[(2-acetamido-3-carboxy-propanoyl)amino]-5-[[1-[[1-(carboxymethyl)-2-[(4-methyl-2-oxo-chromen-7-yl)amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid is a fascinating example of a complex organic molecule. Here are some intriguing aspects:

  • Biological Role: This compound may exhibit potential biological activity due to its structural complexity. Compounds with similar structures are often investigated for their role in drug design and development.
  • Multifunctionality: The presence of multiple functional groups, such as amino, carboxyl, and acetamido, suggests a capacity for diverse chemical interactions, making it an interesting target for conjugation and formulation in pharmaceutical applications.
  • Chromen-7-yl moiety: The inclusion of a chromen-7-yl group indicates a potential for photochemical activity, which could lead to applications in phototherapy or as a fluorescent marker in biochemical assays.
  • Analytical Chemistry: Understanding its synthesis and degradation pathways could provide insights into its stability and reactivity, which is crucial in fields like pharmacology and environmental science.
  • "The science of today is the technology of tomorrow." This quote encapsulates why studying such complex compounds is essential; they may lead to innovative solutions in various scientific fields.

Given its structural intricacy, further research may unlock applications ranging from drug development to biochemical studies, highlighting the importance of continuous exploration in the world of chemistry.

Synonyms
Ac-Asp-Glu-Val-Asp-AMC
Ac-Tyr-Val-Gly
DTXSID20274347
SAP-3171-V
SYG-3146
Acetyl-L-Aspartyl-L-Glutamyl-L-Valyl-L-Aspartic Acid ?-(4-Methyl-Coumaryl-7-Amide); Ac-Asp-Glu-Val-Asp-MCA; Ac-DEVD-AMC