CAS No.82373-94-2,2,3,5,4＇-Tetrahydroxy stilbene-2-Ο-β-D-glucoside Suppliers

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Basic Information

Molecular Structure:
CAS No.:	82373-94-2
Name:	2,3,5,4＇-Tetrahydroxy stilbene-2-Ο-β-D-glucoside
Article Data:	5

Formula:	C₂₀H₂₂O₉
Molecular Weight:	406.389
Synonyms:	b-D-Glucopyranoside,2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenyl, (E)-;2,3,4',5-Tetrahydroxystilbene2-O-D-glucoside;2,3,5,4'-Tetrahydroxystilbene-2-O-b-D-glucoside;
EINECS:	683-231-5
Density:	1.593 g/cm³
Boiling Point:	715 °C at 760 mmHg
Flash Point:	386.2 °C
Hazard Symbols:	Xi
Risk Codes:	36/38
Safety:	26
PSA:	160.07000
LogP:	0.15250

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Specification

The 2,3,5,4'-Tetrahydroxystilbene-2-O-beta-D-glucopyranoside is an organic compound with the formula C₂₀H₂₂O₉. The systematic name of this chemical is (2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)vinyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol. With the CAS registry number 82373-94-2, it is also named as 2,4-Dihydroxy-6-[(E)-2-(4-hydroxyphenyl)vinyl]phenyl β-D-glucopyranoside.

Physical properties about 2,3,5,4'-Tetrahydroxystilbene-2-O-beta-D-glucopyranoside are: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): 0.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.01; (8)ACD/KOC (pH 7.4): 25.64; (9)#H bond acceptors: 9; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 160.07 Å²; (13)Index of Refraction: 1.76; (14)Molar Refractivity: 104.99 cm³; (15)Molar Volume: 255 cm³; (16)Polarizability: 41.62×10^-24cm³; (17)Surface Tension: 86.1 dyne/cm; (18)Density: 1.593 g/cm³; (19)Flash Point: 386.2 °C; (20)Enthalpy of Vaporization: 109.72 kJ/mol; (21)Boiling Point: 715 °C at 760 mmHg; (22)Vapour Pressure: 1.86E-21 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C=Cc2cc(cc(c2OC3C(C(C(C(O3)CO)O)O)O)O)O)O
(2)InChI: InChI=1/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1
(3)InChIKey: JAYVHSBYKLLDJC-DSNJPTTOBS
(4)Std. InChI: InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1
(5)Std. InChIKey: JAYVHSBYKLLDJC-DSNJPTTOSA-N