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Digoxigenin

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Identification
Molecular formula
C23H34O5
CAS number
1672-46-4
IUPAC name
3-[(3S,5R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
State
State

At room temperature, digoxigenin is found in a solid state. It is crystalline in nature, reflecting its stability and the compact arrangement of its molecules.

Melting point (Celsius)
262.00
Melting point (Kelvin)
535.15
Boiling point (Celsius)
700.00
Boiling point (Kelvin)
973.15
General information
Molecular weight
390.51g/mol
Molar mass
390.5070g/mol
Density
1.2657g/cm3
Appearence

Digoxigenin is a white, crystalline powder under normal conditions. It does not have any significant odor.

Comment on solubility

Solubility of 3-[(3S,5R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

The solubility of complex organic compounds such as 3-[(3S,5R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one can be influenced by numerous factors, including molecular structure, presence of functional groups, and the solvent used for solvation. Understanding solubility can be fundamental for applications ranging from pharmaceuticals to chemical syntheses.

Factors Influencing Solubility

  • Polarity: The presence of hydroxyl (-OH) groups in the compound enhances its polarity, which may improve solubility in polar solvents such as water.
  • Molecular Size: Larger, complex molecules may exhibit lower solubility due to increased molecular weight and hydrophobic regions.
  • Hydrophobic vs. Hydrophilic Balance: The balance between hydrophobic portions of the molecule and hydrophilic functional groups can dictate its overall solubility profile.

In practical terms, the solubility of this compound in various solvents could be described as follows:

  • High solubility: Expected in polar solvents (e.g., water, methanol) due to hydroxyl groups.
  • Moderate to low solubility: Anticipated in non-polar solvents owing to large hydrophobic sections within the structure.

In summary, while predicting the exact solubility behavior of this compound without experimental data can be challenging, it is clear that the interplay of hydrophilicity and molecule size offers insights into its solubility potential. This nuanced understanding allows chemists to design better solutions for their applications.

Interesting facts

Interesting Facts about 3-[(3S,5R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

This compound belongs to a fascinating class of complex organic molecules often studied in the fields of medicinal chemistry and biochemistry. Its structural complexity and stereochemistry are notable, as it contains multiple stereogenic centers, leading to diverse biological activities.

Key Highlights:

  • Nature of Compound: This compound is a derivative of a cyclopenta[a]phenanthrene framework, showcasing the intricate nature of polycyclic hydrocarbons.
  • Biological Relevance: Compounds like this have been investigated for their potential in pharmacology, particularly regarding their effects on hormone receptors due to their steroid-like structure.
  • Functional Groups: The presence of multiple hydroxy groups suggests a potential for engaging in hydrogen bonding, thus influencing solubility and biological interactions.
  • Synthetic Importance: The synthesis of such compounds presents challenges that make it an exciting topic for chemists, requiring advanced techniques in organic synthesis.

The stereochemical configuration of this compound signifies the importance of chirality in organic compounds, affecting their biological activity and binding affinity to receptors. As one renowned chemist once said, “The specific arrangement of atoms and their connectivity can lead to vastly different properties and functions.” This underscores the importance of stereochemistry in the design of pharmaceuticals.

Researchers continue to study similar compounds to unlock their potential as therapeutic agents, illustrating the ongoing pursuit of innovation within the field of organic chemistry. The interplay between structure and function remains a fascinating area of exploration, inviting chemists to delve deeper into the molecular world.

Synonyms
Spectrum_000474
SpecPlus_000206
Spectrum2_000288
Spectrum3_001176
Spectrum4_001575
Spectrum5_000230
BSPBio_002791
KBioGR_002130
KBioSS_000954
DivK1c_006302
SPBio_000196
KBio1_001246
KBio2_000954
KBio2_003522
KBio2_006090
KBio3_002291
CCG-39846
AKOS040740260
NCGC00178468-01
AO-774/41465369
BRD-A29082194-001-02-4