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Taxol

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Identification
Molecular formula
C47H51NO14
CAS number
33069-62-4
IUPAC name
5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
State
State

The compound is in the solid state at room temperature.

Melting point (Celsius)
213.00
Melting point (Kelvin)
486.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
853.91g/mol
Molar mass
853.9060g/mol
Density
1.3500g/cm3
Appearence

Taxol, also known as paclitaxel, is a white crystalline powder. It is not soluble in water but is soluble in a variety of organic solvents, such as ethanol and DMSO.

Comment on solubility

Solubility of 5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one (C47H51NO14)

The solubility of a compound often serves as a critical indicator of its potential applications in various fields, including pharmaceuticals and materials science. For the complex compound C47H51NO14, the solubility may depend on several factors:

  • Molecular Structure: The intricate structure of this compound, with multiple functional groups, suggests that it might exhibit varying solubility characteristics in different solvents.
  • Polarity: Given the presence of hydroxyl (-OH) groups, this compound may display some degree of solubility in polar solvents like water, but its larger hydrophobic regions might limit high solubility levels.
  • Temperature and pH: Factors such as temperature and pH can significantly affect solubility. Increased temperature generally enhances solubility, while extreme pH levels might alter the ionization of functional groups.
  • Solvent Choice: This compound could show improved solubility in organic solvents such as ethanol or methanol due to its organic nature.

In conclusion, while predicting the solubility of C47H51NO14 requires empirical data, its solubility is likely to be influenced by the aforementioned factors. Understanding these nuances enables researchers to optimize the conditions for effective use and application of this compound in real-world scenarios.

Interesting facts

Interesting Facts about 5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one

This intricate compound is a fascinating example of complex organic chemistry and showcases the diversity of structures found in the realm of natural products. While many might be daunted by its extensive name, this compound is rich in potential applications and interesting characteristics. Here are some noteworthy aspects:

  • Natural Origins: This compound features various structural motifs commonly found in natural products. Its hexahydropyrano and benzodioxole structures suggest potential biogenic pathways.
  • Biological Activities: Compounds with similar structures have been studied for a variety of biological activities, including anti-inflammatory and antioxidant properties. This raises questions about the potential therapeutic uses of this specific compound.
  • Structural Complexity: The compound is an excellent example of how a simple skeleton can evolve into a multifaceted structure due to the addition of various functional groups. It includes hydroxyl, methoxy, and dioxin groups, each contributing to its reactivity and interaction with biological systems.
  • Research Interest: With the ongoing exploration in medicinal chemistry, compounds like these are valued for their potential to lead to novel pharmaceuticals or therapeutic agents.

As a testament to the creativity in chemical synthesis and natural product discovery, this compound is just one of the many examples illustrating the breathtaking complexities of organic chemistry. Scientists are continuously unearthing the potential that various compounds hold, and this one stands out as a candidate for further investigation and research.

In the words of famous chemist Linus Pauling, “The best way to have a good idea is to have lots of ideas.” This compound exemplifies the profound truths of chemistry, where every molecule offers hints towards greater understanding and innovation.

Synonyms
33419-42-0
Vepesid J
VP-16
Epipodophyllotoxin VP-16213
VP 16
Etoposide Impurity B
NSC 141540
4'-Demethylepipodophyllotoxin 9-(4,6-O-ethylidene-beta-D-glucopyranoside)
(5R,5aR,8aR,9S)-9-(((4aR,6R,7R,8R,8aS)-7,8-Dihydroxy-2-methylhexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one
Demethylepipodophyllotoxin-beta-D-ethylideneglucoside
4'-Demethylepipodophyllotoxin ethylidene-.beta.-D-glucoside
SCHEMBL765413
CHEMBL3184888
CHEBI:93764
DTXSID60860485
VJJPUSNTGOMMGY-UHFFFAOYSA-N
HMS3372I21
HMS3394N05
100007-56-5
EPE
ZINC03830818
Epipodophyllotoxin, 4'-demethyl-, 4,6-O-ethylidene-.beta.-D-glucopyranoside
AB07572
5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
AS-12293
EN300-7484263
Q27165456
4'-Demethylepipodophyllotoxin-.beta.-D-ethylideneglucoside
Epipodophyllotoxin-.beta.-D-ethyliden-glucoside, 4'-demethyl-
4'-Demethylepipodophyllotoxin 9-(4,6-O-Ethylidene--D-glucopyranoside)
4'-Demethylepipodophyllotoxin 9-(4,6-O-ethylidene-.beta.-D-glucopyranoside)
4'-O-Demethyl-1-O-(4,6-O-ethylidene-.beta.-D-glucopyranosyl)epipodophyllotoxin
Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-ethylidene-.beta.-D-glucopyranoside)
[5R-[5.alpha.,5a.beta.,8a.alpha.,9.beta.(R*)]]-9-[(4,6-O-Ethylidene-.beta.-d-glucopyranosyl)oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one
16-({7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl}oxy)-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one
260046-85-3
5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-ethylidenehexopyranoside
Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-((4,6-O-ethylidene-.beta.-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R-(5.alpha.,5a.beta.,8a.alpha.,9.beta.(R*)))-
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[(4,6-O-(1R)-ethylidene-.beta.-D-glucopyranosyl)oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl), (5R,5aR,8aR,9S)-