CAS No.40246-10-4,Glycitin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	40246-10-4
Name:	Glycitin
Article Data:	5

Formula:	C₂₂H₂₂O₁₀
Molecular Weight:	446.411
Synonyms:	Glycitein7-O-glucoside;Glycitein 7-O-b-glucoside;Glycitein-7-b-O-glucoside;3-(4-Hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;
Density:	1.545 g/cm³
Melting Point:	210 °C
Boiling Point:	751.1 °C at 760 mmHg
Flash Point:	264.1 °C
Appearance:	White solid
Safety:	24/25
PSA:	159.05000
LogP:	0.35290

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Specification

The IUPAC name of Glycitin is 3-(4-Hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one . With the CAS registry number 40246-10-4, Glycitin is also can be called as Glycitein 7-o-glucoside ; 7,4'-Dihydroxy-6-methoxyisoflavone-7-d-glucoside ; Glycitein7-o-d-glukopyranoside ; 7-(b-d-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-4h-1-benzopyran-4- on ; Glycitein-7-b-o-glucopyranoside ; 4H-1-Benzopyran-4-one, 7-(.beta.-d-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy- . It belongs to the product categories: Miscellaneous Natural Products ; The group of Daidzin ; Intermediates and Fine Chemicals ; Pharmaceuticals.

Properties of Glycitin :(1)#H bond acceptors: 10 ; (2)#H bond donors: 5 ; (3)#Freely Rotating Bonds: 10 ; (4)Polar Surface Area: 100.14 Å² ; (5)Index of Refraction: 1.674 ; (6)Molar Refractivity: 108.47 cm³ ; (7)Molar Volume: 288.7 ; (8)Surface Tension: 77.6 dyne/cm ; (9)Enthalpy of Vaporization: 114.86 kJ/mol ; (10)Vapour Pressure: 1.07E-23 mmHg at 25°C ; (11)Storage Temp.: Store at -20 °C

Glycitin can be used to product derivative of Glycitein , and Glycitin also can be used as inhibitor. Glycitin has anti-bacterial,Antiviral, estrogen-like effect. Glycitin can also prevent osteoporosis,prevent cardio-cerebral vascular diseases and to reduce or prevent the estrogen-induced reduction in menopausal syndrome, as well as with the anti-aging and the prevention of alcoholism and other effects.

You can still convert the following datas of Glycitin into molecular structure:
(1)Canonical SMILES: COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O;
(2)Isomeric SMILES: COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H[C@H](O4)CO)O)O)O;
(3)InChI: InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1 ;
(4)InChIKey: OZBAVEKZGSOMOJ-MIUGBVLSSA-N