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Netropsin sulfate

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Identification
Molecular formula
C26H38N12O11S
CAS number
75198-86-0
IUPAC name
3,6-diamino-N-[[15-amino-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-8-(ureidomethylene)-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide;sulfuric acid
State
State

At room temperature, Netropsin sulfate is in a solid state.

Melting point (Celsius)
215.00
Melting point (Kelvin)
488.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
847.97g/mol
Molar mass
847.9700g/mol
Density
1.5000g/cm3
Appearence

Netropsin sulfate appears as a crystalline powder. It is white to off-white in color.

Comment on solubility

Solubility of 3,6-diamino-N-[[15-amino-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-8-(ureidomethylene)-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide; sulfuric acid

Understanding the solubility of complex chemical compounds like 3,6-diamino-N-[[15-amino-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-8-(ureidomethylene)-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide; sulfuric acid is crucial for its application in various fields. The solubility characteristics can dictate its utility, reactivity, and biological behavior. The following factors often influence its solubility:

  • Polarity: The presence of polar functional groups, such as amino and hydroxymethyl groups, tends to enhance solubility in polar solvents (e.g., water).
  • Hydrogen Bonding: This compound features multiple sites capable of forming hydrogen bonds, which can increase solubility in protic solvents.
  • Ionization: The influence of sulfuric acid may result in protonation of basic sites, enhancing solubility through ionic interactions.
  • Molecular Size: The large and complex structure of this compound could restrict solubility in some solvents, emphasizing the need for tailored solvent choices.

In summary, while this compound has a high potential for solubility due to its functional groups and the presence of sulfuric acid, the complexity of its structure may introduce variances in solubility across different environments. Therefore, it’s vital to conduct empirical tests to determine the practical solubility and identify the most suitable applications.

Interesting facts

Interesting Facts about 3,6-diamino-N-[[15-amino-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-8-(ureidomethylene)-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide; sulfuric acid

This complex compound, often referred to as a multi-functional molecule, showcases an intricate interplay of chemical structures, making it a fascinating subject for study. One of its standout features is its remarkable composition, which includes:

  • Amino groups: These functional groups contribute significantly to the reactivity of the compound.
  • Pentaoxo frameworks: The presence of multiple carbonyl (C=O) functionalities indicates potential for diverse reactivity and coordination capabilities.
  • Pentacyclic structure: The multi-cyclic arrangement is not only unique but also provides an insight into the compound's conformational flexibility.
  • Ureidomethylene moiety: This portion of the molecule suggests potential applications in medicinal chemistry, particularly in drug design.

Moreover, the addition of sulfuric acid in the formulation indicates an intriguing aspect of its reactivity. Sulfuric acid can act as a dehydrating agent or a catalyst, enhancing certain properties of the compound further. This feature is essential in various chemical processes, and highlights the significance of acid-base interactions in organic synthesis.

In terms of applications, compounds like this one could serve multiple purposes in fields such as:

  1. Pharmaceutical Industry: Potential for use in drug formulations targeting complex diseases.
  2. Agricultural Chemicals: Possible development of advanced fertilizers or pesticides.
  3. Material Science: Use in creating novel polymers or composite materials due to its unique structural properties.

The synthesis of such compounds is not just an academic endeavor; it can yield insights into new chemical pathways and the development of innovative materials. As we delve deeper into the study of such intricate compounds, we're reminded of the endless possibilities that exist within the realm of chemical science.

Synonyms
3,6-diamino-N-{[(8Z)-15-amino-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-11-(2-imino-1,3-diazinan-4-yl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl]methyl}hexanamide; sulfuric acid
PD055799