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Tacrolimus

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Identification
Molecular formula
C44H69NO12
CAS number
104987-11-3
IUPAC name
17-ethyl-1,14-dihydroxy-12-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
State
State

At room temperature, Tacrolimus is in a solid state.

Melting point (Celsius)
113.00
Melting point (Kelvin)
386.15
Boiling point (Celsius)
836.30
Boiling point (Kelvin)
1 109.45
General information
Molecular weight
804.02g/mol
Molar mass
804.0190g/mol
Density
1.1900g/cm3
Appearence

A white to off-white crystalline powder that is typically odorless.

Comment on solubility

Solubility of 17-ethyl-1,14-dihydroxy-12-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

The solubility of the compound C44H69NO12 can be quite intricate due to its complex molecular structure. Here are some key points to consider:

  • Hydrophobic and Hydrophilic Regions: The presence of both hydrophobic (non-polar) and hydrophilic (polar) groups within the molecule significantly influences its solubility in various solvents.
  • Solvent Interaction: Compounds with large non-polar sections may exhibit low solubility in water but could dissolve well in organic solvents, such as ethanol or acetone.
  • Temperature Dependence: Solubility may vary with temperature; typically, an increase in temperature enhances the solubility of solids in liquids.
  • pH Sensitivity: As the molecule contains several hydroxyl groups, its solubility might also change with the pH of the solution, impacting interactions within aqueous environments.
  • Intramolecular Interactions: The presence of multiple functional groups could facilitate intramolecular hydrogen bonding, which may lead to unexpected solubility behavior.

Overall, the solubility of this compound is multifaceted and can be influenced by numerous factors, making its predictability a challenge! As stated, "The solvent is the key—the right choice opens the door to solubility!"

Interesting facts

Interesting Facts about 17-ethyl-1,14-dihydroxy-12-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

The compound in question is a fascinating member of a class of chemical compounds noted for their complex structure and diverse properties. Here are some captivating details:

  • Complex Structure: This compound boasts a highly intricate molecular architecture, featuring multiple functional groups and rings, which plays a vital role in its chemical behavior.
  • Pharmacological Interest: Compounds with similar structures often exhibit significant biological activity, making them subjects of interest in drug discovery and development.
  • Natural Sources: Many of the precursors or related compounds are derived from natural sources, such as plants, and can exhibit various medicinal properties, ranging from anti-inflammatory to antioxidant effects.
  • Applications: Beyond potential medicinal applications, the structural features of this compound may place it in various fields, including agrochemicals and materials science.
  • Synthesis Challenges: Due to its complexity, synthesizing this compound may pose considerable challenges to chemists and could involve multiple reaction steps and careful manipulation of reaction conditions.

In conclusion, the compound's distinctive features highlight the wonders of organic chemistry. It serves as a reminder of the profound complexity and the potential utility of chemical compounds, sparking excitement and curiosity in the scientific community. As researchers delve deeper into its characteristics, we can anticipate more discoveries surrounding its applications and interactions within biological systems.

Synonyms
ascomycin
11011-38-4
17-ethyl-1,14-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
104987-12-4
Ascomycin (Immunomycin,FK-520)
ZDQSOHOQTUFQEM-UHFFFAOYSA-N
BCP28504
1,14-dihydroxy-12-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylvinyl]-23,25-dimethoxy-17-ethyl-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo [22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1, 14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclo-hexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1, 14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1 '-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-ETHYL-1,14-DIHYDROXY-12-[1-(4-HYDROXY-3-METHOXYCYCLOHEXYL)PROP-1-EN-2-YL]-23,25-DIMETHOXY-13,19,21,27-TETRAMETHYL-11,28-DIOXA-4-AZATRICYCLO[22.3.1.0?,?]OCTACOS-18-ENE-2,3,10,16-TETRONE
17-ethyl-1,14-dihydroxy-12-[2'(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy -3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy -13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo-[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclo-hexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]-octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl] -23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23, 25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa -4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25 -dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,-27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl -11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo [22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo-[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]-octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,-10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetrone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene2,3,10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18ene-2,3,10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-Ethyl-1,14-dihydroxy-12-[2-(4-hydroxy-3-methoxycyclo hexyl)-1-methylvinyl)-23,25-dimethoxy-13,19,21,27-tetra methyl-11,28-dioxa-4-azatricyclo(22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone