CAS No.66026-80-0,genistein-8-c-glucoside Suppliers

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Basic Information

Molecular Structure:
CAS No.:	66026-80-0
Name:	genistein-8-c-glucoside
Article Data:	3

Formula:	C₂₁H₂₀O₁₀
Molecular Weight:	432.384
Synonyms:	(1S)-1, 5-Anhydro-1-[5, 7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol;
Density:	1.686 g/cm³
Boiling Point:	767.7 °C at 760 mmHg
Flash Point:	273.1 °C
PSA:	181.05000
LogP:	0.09170

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Specification

The Genistein 8-C-glucoside, with the CAS registry number 66026-80-0, is also known as (1S)-1, 5-Anhydro-1-[5, 7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol. This chemical's molecular formula is C₂₁H₂₀O₁₀ and molecular weight is 432.3775. What's more, its IUPAC name is 5, 7-Dihydroxy-3-(4-hydroxyphenyl)-8-[(2S, 3R, 4R, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one.

Physical properties about Genistein 8-C-glucoside are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 18.98; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 265.98; (8)ACD/KOC (pH 7.4): 8.63; (9)#H bond acceptors: 10; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 100.14 Å²; (13)Index of Refraction: 1.743; (14)Molar Refractivity: 103.7 cm³; (15)Molar Volume: 256.3 cm³; (16)Polarizability: 41.11×10^-24 cm³; (17)Surface Tension: 99 dyne/cm; (18)Density: 1.686 g/cm³; (19)Flash Point: 273.1 °C; (20)Enthalpy of Vaporization: 117.27 kJ/mol; (21)Boiling Point: 767.7 °C at 760 mmHg; (22)Vapour Pressure: 8.68E-25 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C3C(/c1ccc(O)cc1)=C\Oc2c(c(O)cc(O)c23)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO
(2) InChI: InChI=1/C21H20O10/c22-6-13-17(27)18(28)19(29)21(31-13)15-12(25)5-11(24)14-16(26)10(7-30-20(14)15)8-1-3-9(23)4-2-8/h1-5,7,13,17-19,21-25,27-29H,6H2/t13-,17-,18+,19-,21+/m1/s1
(3) InChIKey: HIWJJOYYZFELEZ-FFYOZGDPBM