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[ CAS No. 5995-86-8 ] {[proInfo.proName]}

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Chemical Structure| 5995-86-8
Chemical Structure| 5995-86-8
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Product Citations

Product Citations      Expand+

Muhammad Ayser ; Wafa Tonny ; Isabella Sanchez Hernandez , et al. DOI:

Abstract: Purpose: A large amount of wasted mushroom stems are accumulated yearly by the mushroom industry. To reduce this waste, we have proposed a fractionation method to isolate several useful coproducts using reusable solvents. Methods: Coproducts were extracted by sequential solvent extraction before producing chitin-glucan complex from Pleurotus ostreatus (oyster) mushrooms. The extracted β-glucans, polyphenols, and proteins were confirmed by 3,5-dinitrosalicylic acid (DNS), Folin-Ciocalteau, and bicinchoninic acid (BCA) assays respectively. Extracted lipids were analyzed by gas chromatography-mass spectrometry (GC–MS). The chitin-glucan complex was characterized by Fourier-transform infrared spectroscopy (FT-IR), high performance liquid chromatography (HPLC), and powder X-ray diffraction (XRD). Results: The extract yield of chitin-glucan complex was 8.3%. The crystallinity index of the extracted chitin-glucan complex was 71.2% when compared to 85% for crustacean chitin. The reduced crystallinity in mushroom chitin was due to the presence of the residual β-glucans. Conclusion: The reported fractionation method uses less solvent and provides a greener alternative to producing chitin-glucan complex when compared to the conventional methods of using a large volume of harsh chemicals harmful to the environment. Further, fractionating several coproducts while producing the chitin-glucan complex will reduce the total processing cost.

Keywords: Chitin ; Chitosan ; Mushrooms ; Vitamins ; Proteins ; β-Glucans

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Muhammad Ayser ; Wafa Tony ; Isabella Sanchez Hernandez , et al. DOI:

Abstract: A large amount of wasted mushroom stems are accumulated yearly by the mushroom industry. To reduce this waste, we have proposed a fractionation method to isolate several useful coproducts such as β-glucans, lipids, Vitamin D, polyphenols, and proteins before producing chitin from oyster mushrooms using reusable organic solvents. The extracted β-Glucans, polyphenols, and proteins were confirmed by 3,5-dinitrosalicylic acid (DNS), Folin-Ciocalteau, and bicinchoninic acid (BCA) assays respectively. Extracted lipids were analyzed by gas chromatography-mass spectrometry (GC-MS) and chitin was characterized by Fourier-transform infrared spectroscopy (FT-IR) and powder X-Ray diffraction (XRD). The crystallinity index of the extracted chitin was 71.2% when compared to 85% for crustacean chitin. The reduced crystallinity in mushroom chitin was due to the presence of some β-glucans. Overall, the reported fractionation method uses less solvent and provides a greener alternative to producing chitin when compared to the conventional methods of using a large quantity of harsh chemicals harmful to the environment. Further, fractionating several coproducts while producing chitin will reduce the total processing cost.

Keywords: Chitin ; Chitosan ; Mushrooms ; Vitamins ; Proteins ; β-Glucans

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Product Details of [ 5995-86-8 ]

CAS No. :5995-86-8 MDL No. :MFCD00149098
Formula : C7H8O6 Boiling Point : -
Linear Structure Formula :- InChI Key :IUTKPPDDLYYMBE-UHFFFAOYSA-N
M.W : 188.13 Pubchem ID :24721416
Synonyms :
3,4,5-Trihydroxybenzoic acid hydrate
Chemical Name :3,4,5-Trihydroxybenzoic acid hydrate

Calculated chemistry of [ 5995-86-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 6.0
Num. H-bond donors : 5.0
Molar Refractivity : 42.52
TPSA : 107.22 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -7.28 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.11
Log Po/w (XLOGP3) : 0.23
Log Po/w (WLOGP) : 0.44
Log Po/w (MLOGP) : -0.97
Log Po/w (SILICOS-IT) : -0.2
Consensus Log Po/w : -0.08

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.43
Solubility : 7.04 mg/ml ; 0.0374 mol/l
Class : Very soluble
Log S (Ali) : -2.04
Solubility : 1.71 mg/ml ; 0.00909 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.04
Solubility : 171.0 mg/ml ; 0.91 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.31

Safety of [ 5995-86-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 5995-86-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 5995-86-8 ]

[ 5995-86-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 5995-86-8 ]
  • [ 19387-91-8 ]
  • C8H13N3O4S*C7H6O5 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In water; at 60℃; for 1h; (1) Accurately weigh 247 mg of <strong>[19387-91-8]tinidazole</strong> and 376 mg of gallic acid monohydrate in a 50 mL round bottom flaskAdd 20 mL of distilled water and install a reflux unit.(2) Stir the reaction in a water bath at 60 C for 1 hour.The solution gradually changed from a colorless solution to a pale yellow solution.liquid.(3) The reaction solution was filtered through a medium speed filter paper, and the filtrate was placed in a 50 mL beaker, and the beaker mouth was covered with a plastic wrap.Three small mouths were placed with a syringe and allowed to stand for crystallization. The pale yellow powdery solid precipitated after about 24 hours and was a <strong>[19387-91-8]tinidazole</strong>-gallic acid drug cocrystal.
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