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Daphnine

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Identification
Molecular formula
C21H25NO8
CAS number
486-56-6
IUPAC name
[(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-isopropyl-3-methoxy-butanoate
State
State
At room temperature, Daphnine exists as a solid. It can be crystalline or powdery in form. It is crucial to store the compound properly to preserve its integrity and appearance.
Melting point (Celsius)
184.00
Melting point (Kelvin)
457.15
Boiling point (Celsius)
370.00
Boiling point (Kelvin)
643.15
General information
Molecular weight
401.45g/mol
Molar mass
401.4540g/mol
Density
1.2300g/cm3
Appearence
Daphnine typically appears as a crystalline substance that can range in color from white to off-white. It may also appear as a powder depending on its preparation and storage conditions. It is important to note:
  • It is sensitive to light and air, which may affect its appearance over time.
  • It may also show hygroscopic tendencies, possibly absorbing moisture from the air.
Comment on solubility

Solubility of [(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-isopropyl-3-methoxy-butanoate

The solubility of a compound like [(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-isopropyl-3-methoxy-butanoate can be quite complex due to its intricate structure. Solubility is heavily influenced by the following factors:

  • Polarity: The presence of multiple polar functional groups such as hydroxyl (-OH) and methoxy (-OCH3) can enhance solubility in polar solvents like water.
  • Hydrogen bonding: Compounds capable of hydrogen bonding tend to dissolve better in polar solvents. For this compound, the -OH groups can participate in hydrogen bonding, potentially improving its solubility.
  • Ionization: The quaternary ammonium structure might lead to ionization in aqueous environments, further affecting solubility positively.
  • Temperature: Generally, increased temperature can enhance solubility for many compounds. However, this is not a universal rule and can vary significantly between different substances.

To summarize, the solubility of this compound is likely to be influenced by its polarity, ability to form hydrogen bonds, potential for ionization, and the impact of temperature. Thus, experimental determination is often essential to obtain precise solubility data, especially for compounds with complex structures.

Interesting facts

Interesting Facts about [(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-isopropyl-3-methoxy-butanoate

This complex and intriguing compound belongs to a class of organic molecules that exhibit a remarkable range of biochemical activities. Here are some captivating points to consider:

  • Structural Diversity: The structural intricacies of this compound include a pyrrolizine ring and functional groups such as hydroxyl and isopropyl, which contribute to its unique properties and reactivity.
  • Biological Implications: Compounds like this one can play essential roles in biological systems; they may interact with enzymes or receptors, potentially influencing metabolic pathways or therapeutic outcomes.
  • Synthetic Potential: The methodology for synthesizing such compounds can involve advanced techniques in organic chemistry, showcasing the creative capabilities of chemists in developing complex organic frameworks.
  • Pharmacological Interest: The intricacies of its structure suggest potential pharmacological applications. It's critical to investigate how its specific arrangement of atoms might interact with biological targets.
  • Natural Occurrence: This compound can resemble those found in nature, drawing interest from biochemists aiming to explore natural products and their derivatives for drug discovery.

As a chemistry student or a scientist, one might ponder the following questions during the exploration of such compounds:

  • How does the stereochemistry influence its biological activity?
  • Could modifications to certain functional groups enhance or reduce its efficacy?
  • What are the environmental impacts of synthesizing and using this compound in various industries?

In conclusion, the exploration of [(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-isopropyl-3-methoxy-butanoate opens a fascinating window into the world of chemistry, bridging the gap between structure and function. Each characteristic of this compound not only highlights its theoretical significance but also invites practical applications within the realms of pharmaceuticals and beyond.

Synonyms
Heliotrine, N-oxide
6209-65-0
NSC 30621
Heliotrine, 4-oxide
[(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
(1S-(1alpha,7(2R*,3S*),7aalpha))-2-Hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester
Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, N-oxide, (1S-(1-alpha,7(2R*,3S*),7a-alpha))-
DTXSID50977677
((7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
DTXCID501776150
(1S-(1 alpha,7(2R*,3S*),7a alpha))-2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester
[(7S,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate
MSK14164
FH161605
(1S,7AS)-1-HYDROXY-7-{[(2-HYDROXY-2-ISOPROPYL-3-METHOXYBUTANOYL)OXY]METHYL}-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-4-IUM-4-OLATE
Butanoic acid, 2-hydroxy-3-methoxy-2-(1-methylethyl)-, [(1S,7aS)-2,3,5,7a-tetrahydro-1-hydroxy-4-oxido-1H-pyrrolizin-7-yl]methyl ester