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Gossypetin

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Name

Gossypetin

EINECS N/A
CAS No. 489-35-0 Density 1.912 g/cm3
PSA 151.59000 LogP 1.69360
Solubility N/A Melting Point 302-304°C
Formula C15H10O8 Boiling Point 679.3 °C at 760 mmHg
Molecular Weight 318.24 Flash Point 260.6 °C
Transport Information N/A Appearance Yellow Crystals
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 489-35-0 (Gossypetin) Hazard Symbols N/A
Synonyms

Flavone,3,3',4',5,7,8-hexahydroxy- (7CI,8CI);Gossypetin (6CI);8-Hydroxyquercetin;Articulatidin;C.I. 75750;Equisporol;

Article Data 15

Gossypetin Synthetic route

27500-35-2

2-(3,4-dimethoxy-phenyl)-3-hydroxy-5,7,8-trimethoxy-chromen-4-one

489-35-0

gossypetin

Conditions
ConditionsYield
With hydrogen iodide; acetic anhydride

gossypetin 8-O-β-D-glucuronide 3-sulphate

489-35-0

gossypetin

Conditions
ConditionsYield
With hydrogenchloride at 100℃;
gossypetin-3.5.8.3'.4'-pentamethyl ether

gossypetin-3.5.8.3'.4'-pentamethyl ether

489-35-0

gossypetin

Conditions
ConditionsYield
With hydrogen iodide
4988-22-1

5,7,3',4'-tetrahydroxy-3,8-dimethoxyflavone

489-35-0

gossypetin

Conditions
ConditionsYield
With hydrogen iodide; phenol at 145℃; for 0.5h;4 mg

7,8,3',4'-tetrahydroxy-3,5-dimethoxyflavone

489-35-0

gossypetin

Conditions
ConditionsYield
With hydrogen bromide for 0.5h; Heating;5 mg
117-39-5

quercetol

489-35-0

gossypetin

Conditions
ConditionsYield
With NADPH; flavin adenine dinucleotide In phosphate buffer at 30℃; for 0.25h; pH=7.0; Enzyme kinetics; Further Variations:; Reagents; pH-values; Temperatures;

gossypetin-3,8-dimethyl ether 5-O-β-D-glucopyranoside

489-35-0

gossypetin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: β-glucosidase; acetate buffer / 24 h / 37 °C / pH 5.2
2: 4 mg / HI; phenol / 0.5 h / 145 °C
View Scheme
909803-33-4

sinocrassoside D2

A

3615-41-6

L-Rhamnose

B

50-99-7

D-glucose

C

489-35-0

gossypetin

Conditions
ConditionsYield
With hydrogenchloride; water for 3h; Reflux;

gossypetin-3-O-α-L-arabinofuranoside

489-35-0

gossypetin

Conditions
ConditionsYield
With hydrogenchloride; water at 100℃; for 4h;

gossypetin-3-O-α-rhamnopyranoside

489-35-0

gossypetin

Conditions
ConditionsYield
With hydrogenchloride; water at 100℃; for 4h;

Gossypetin Specification

This chemical is called 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-, and it can also be named as Gossypetin. With the molecular formula of C15H10O8, its molecular weight is 318.24. The CAS registry number of this chemical is 489-35-0. Additionally, its product category is Flavanols. 

Other characteristics of the 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy- can be summarised as followings: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 3.97; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 90.27; (8)ACD/KOC (pH 7.4): 6.65; (9)#H bond acceptors: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 81.68 Å2; (13)Index of Refraction: 1.863; (14)Molar Refractivity: 75.2 cm3; (15)Molar Volume: 166.4 cm3; (16)Polarizability: 29.81×10-24cm3; (17)Surface Tension: 133 dyne/cm; (18)Density: 1.912 g/cm3; (19)Flash Point: 260.6 °C; (20)Enthalpy of Vaporization: 103.28 kJ/mol; (21)Boiling Point: 679.3 °C at 760 mmHg; (22)Vapour Pressure: 4.49E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C1c3c(O/C(=C1/O)c2ccc(O)c(O)c2)c(O)c(O)cc3O
2.InChI: InChI=1/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H
3.InChIKey: YRRAGUMVDQQZIY-UHFFFAOYAI

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