Luteolin-7-O-glucoside supplier

Name
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one mono-beta-D-glucopyranoside
EINECS
CAS No. 26811-41-6
Density 1.713 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₀O₁₁
Boiling Point 838.1 °C at 760 mmHg
Molecular Weight 448.3769
Flash Point 296.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one;Luteolin, glucoside;4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, mono-beta-D-glucopyranoside;Flavone, 3,4,5,7-tetrahydroxy-, mono-beta-D-glucopyranoside;Luteolin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-5,7,3,4-tetrahydroxyflavone;Luteolin monoglucoside;Flavon, 3,4,5,7-tetrahydroxy-, glucoside;Cynaroside;
PSA
LogP

Luteolin-7-O-glucoside Specification

The Luteolin-7-O-glucoside is an organic compound with the formula C₂₁H₂₀O₁₁. The IUPAC name of this chemical is 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one. With the CAS registry number 26811-41-6, it is also named as 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl-β-D-glucopyranoside.

Physical properties about Luteolin-7-O-glucoside are: (1)ACD/LogP: -0.09; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -1.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.86; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 109.37 Å²; (13)Index of Refraction: 1.74; (14)Molar Refractivity: 105.55 cm³; (15)Molar Volume: 261.6 cm³; (16)Polarizability: 41.84×10^-24cm³; (17)Surface Tension: 100.8 dyne/cm; (18)Density: 1.713 g/cm³; (19)Flash Point: 296.8 °C; (20)Enthalpy of Vaporization: 127.65 kJ/mol; (21)Boiling Point: 838.1 °C at 760 mmHg; (22)Vapour Pressure: 8.25E-30 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\3c4c(O)cc(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)cc4O/C(c2ccc(O)c(O)c2)=C/3
(2)InChI: InChI=1/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
(3)InChIKey: PEFNSGRTCBGNAN-QNDFHXLGBE
(4)Std. InChI: InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
(5)Std. InChIKey: PEFNSGRTCBGNAN-QNDFHXLGSA-N

Product Name

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one mono-beta-D-glucopyranoside

Luteolin-7-O-glucoside Specification

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