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Caspofungin acetate

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Identification
Molecular formula
C52H88N10O15S
CAS number
179463-17-3
IUPAC name
28-(2,3-dihydroxy-2-methyl-propyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone
State
State

Caspofungin acetate is typically supplied as a solid, lyophilized powder within vials. When prepared for administration, it becomes a liquid solution for intravenous use.

Melting point (Celsius)
0.00
Melting point (Kelvin)
0.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
1093.25g/mol
Molar mass
1 093.2490g/mol
Density
1.4000g/cm3
Appearence

Caspofungin acetate is a white to off-white powder. It is usually delivered in lyophilized form within vials intended for intravenous infusion.

Comment on solubility

Solubility of 28-(2,3-dihydroxy-2-methyl-propyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone

The solubility of this complex compound, with the chemical formula C52H88N10O15S, is influenced by a variety of factors due to its intricate structure. Here are some key points regarding its solubility:

  • Polarity: The presence of multiple functional groups such as hydroxyl (-OH) and amine (-NH2) can enhance solubility in polar solvents, particularly water.
  • Hydrogen Bonding: The hydroxyl groups increase the potential for hydrogen bonding, which may facilitate solubility in aqueous solutions.
  • Hydrophobic Regions: The long hydrocarbon chains contribute to hydrophobic character, which might limit solubility in water but enhance solubility in organic solvents.
  • Temperature Factors: Solubility may also vary with temperature, typically increasing with higher temperatures for most organic compounds.
  • Concentration Limits: Due to its complex molecular structure, its solubility might reach saturation at lower concentrations compared to simpler compounds.

In summary, the solubility profile of this compound is likely to reflect a balance between its hydrophilic and hydrophobic characteristics, meaning that it could be soluble in specific solvents but less so in others. Testing in various solvents is essential to fully characterize its solubility behavior.

Interesting facts

28-(2,3-Dihydroxy-2-methyl-propyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone

This compound, with an intricate structure, belongs to a class of organic molecules often investigated for their unique chemical properties and potential biological applications. The complexity of its name reflects the rich diversity of functional groups and the multi-cyclic arrangement that characterize it. Here are some notable facts:

  • Structural Complexity: The compound features a fascinating pentacyclic structure that is enriched with multiple nitrogen and sulfur atoms, which significantly influence its chemical behavior and reactivity.
  • Potential Biological Activity: Compounds like this are often explored for their potential pharmacological properties, including antimicrobial and antitumor activities, owing to their intricate interactions with biological systems.
  • Natural Occurrence: Several similar compounds are derived from natural products, particularly from plants and microorganisms, suggesting that they may play vital roles in ecological interactions.
  • Reactivity Profile: The presence of hydroxyl groups enhances the compound's reactivity, potentially allowing for hydrogen bonding and polar interactions, which are critical in biological systems.
  • Research Significance: Compounds of this nature can serve as scaffolds for the development of novel drugs due to their ability to be modified easily, leading to new applications in medicinal chemistry.

As a chemistry student or researcher, exploring such a compound not only enhances understanding of organic synthesis and structural organic chemistry but also opens avenues into the realm of pharmaceutical research. The challenges faced in synthesizing and characterizing such complex structures lend a thrilling aspect to the field of chemistry!

Synonyms
PHALLOIDIN
17466-45-4
DTXSID3037254
Phalloidin from Amanita phalloides
28-(2,3-Dihydroxy-2-methylpropyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone
SCHEMBL39329
GTPL4736
KPKZJLCSROULON-UHFFFAOYSA-N
28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.0^{3,11}.0^{4,9}.0^{16,20}]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone
NSC523214
SMP1_000234
DA-65261
LS-15367
Phalloidin from Amanita phalloides, >=90%
NS00015477
Phalloidin is known as a heptapeptide phallotoxin.
(2,3-dihydroxy-2-methyl-propyl)-hydroxy-(1-hydroxyethyl)-dimethyl-[?]heptone
Cyclic(L-alanyl-D-threonyl-L-cysteinyl-cis-4-hydroxy-L-prolyl-L-alanyl-2-mercapto-L-tryptophyl-4, cyclic (3.fwdarw.6)-sulfide
Cyclo(L-alanyl-2-mercapto-L-tryptophanyl-4,5-dihydroxy-L-leucyl-L-alanyl-threonyl-cysteinyl-L-cis-4-hydroxy-L-prolyl, cyclic (2, 6)-sulfide