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Coenzyme B12

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Identification
Molecular formula
C63H88CoN14O14P
CAS number
13408-78-1
IUPAC name
6-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-4-hydroxy-6-oxo-hexanoic acid
State
State

At room temperature, Coenzyme B12 is a solid compound. It is stable under normal conditions but can degrade under light exposure, requiring it to be stored in dark containers to preserve its stability and functionality.

Melting point (Celsius)
300.00
Melting point (Kelvin)
573.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
1355.37g/mol
Molar mass
1 355.3700g/mol
Density
2.0500g/cm3
Appearence

Coenzyme B12, also known as cobalamin, is a complex organometallic compound. It is typically a bright red crystalline solid due to the presence of cobalt. The vibrant color is characteristic of cobalt-containing compounds. In its powdered form, it exhibits a dark red appearance.

Comment on solubility

Solubility of 6-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-4-hydroxy-6-oxo-hexanoic acid

The solubility of the compound with the chemical formula C63H88CoN14O14P exhibits some intriguing characteristics due to its complex structure. Solubility can vary widely based on several factors, making it essential to consider:

  • Polarity: Given the presence of multiple hydroxy, phosphate, and amino groups, this compound is likely to be highly polar, which may enhance its solubility in polar solvents such as water.
  • Hydrophobic Regions: The large hydrocarbon portions can contribute to hydrophobicity, potentially reducing solubility in aqueous environments.
  • pH Dependence: The ionizable functional groups can alter solubility dramatically at different pH levels, indicating that its solubility may be more pronounced in biological fluids compared to standard laboratory conditions.
  • Interactions: This compound may engage in interactions with surrounding solvents, impacting its solubility; for instance, hydrogen bonding and ionic interactions could be significant.

In conclusion, while there is a potential for moderate to high solubility in polar solvents, the amphiphilic nature of the molecule suggests that the solubility might be variable under different conditions. Further empirical testing would be necessary to elucidate its precise solubility profile.

Interesting facts

Interesting Facts about 6-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-4-hydroxy-6-oxo-hexanoic acid

This compound, with its complex structure, represents a fascinating area of research in biochemical processes, particularly in the realms of pharmaceuticals and molecular biology. Its intricate arrangement of functional groups contributes significantly to its biological activity and potential therapeutic applications.

  • Biological Relevance: The presence of an aminopurine moiety connects it to nucleic acid metabolism, potentially influencing DNA and RNA synthesis or stability.
  • Phosphoryl Groups: The multiple phosphoryl groups might play a crucial role in biochemical signaling pathways, acting as a phosphate donor or participating in energy transfer processes.
  • Sulfanyl Group: The ethylsulfanyl group can be significant for enhancing solubility and reactivity, which may facilitate interaction with various biological targets.

In terms of research implications, this compound is a promising lead in drug development, especially in targeting diseases where nucleic acid manipulation is key. Scientists are particularly interested in how the stereochemistry and functional groups of such compounds can lead to selective binding with biological receptors, ultimately paving the way for innovative treatments.

As noted by one researcher, "The exploration of complex organic molecules like this opens doors to new hypotheses regarding drug design and molecular interaction." This compound stands as a testament to how intricate structures can lead to significant advances in understanding life at the molecular level.


In summary, 6-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-4-hydroxy-6-oxo-hexanoic acid epitomizes the sophisticated nature of chemistry, blending together components that not only elucidate fundamental processes but also challenge researchers to understand their potential application in medicine.

Synonyms
3-hydroxyhexanedioyl-CoA
CID90; (Acyl-CoA); [M+H]+;