Isorhamnetin-3-O-glucoside supplier

Name
ISORHAMNETIN-3-GLUCOSIDE
EINECS 207-545-5
CAS No. 5041-82-7
Article Data16
CAS DataBase
Density 1.75 g/cm³
Solubility
Melting Point 155-160 °C
Formula C₂₂H₂₂O₁₂
Boiling Point 834.4 °C at 760 mmHg
Molecular Weight 478.409
Flash Point 291.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Flavone,3,4',5,7-tetrahydroxy-3'-methoxy-, 3-b-D-glucopyranoside (7CI,8CI);Isorhamnetin 3-glucoside(6CI);Glucopyranoside, isorhamnetin-3, b-D- (8CI);3,4',5,7-Tetrahydroxy-3-methoxyflavone 3-b-D-glucopyranoside;3-Glucosylisorhamnetin;3'-O-Methylquercetin 3-glucoside;Isorhamnetin3-O-D-glucoside;Isorhamnetin 3-O-glucoside;Isorhamnetin 3-O-b-D-glucopyranoside;Isorhamnetin3-O-b-D-glucoside;Isorhamnetin 3-O-b-glucoside;Isorhamnetin 3-b-D-glucopyranoside;Isorhamnetin3-b-D-glucoside;Isorhamnetin 3-b-glucoside;Isorhamnetin-3-b-glucopyranoside;Isorhamnetol3-monoglucoside;
PSA 199.51000
LogP -0.23590

Isorhamnetin-3-O-glucoside Specification

The Isorhamnetin-3-O-glucoside, with the CAS registry number 5041-82-7, is also known as Isorhamnetin-3-glucopyranoside. It belongs to the product category of Flavanols. This chemical's molecular formula is C₂₂H₂₂O₁₂ and molecular weight is 478.40. What's more, its systematic name is called 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glucopyranoside.

Physical properties about Isorhamnetin-3-O-glucoside are: (1) ACD/LogP: 1.71; (2) # of Rule of 5 Violations: 2; (3) ACD/LogD (pH 5.5): 1.59; (4) ACD/LogD (pH 7.4): 0.07; (5) ACD/BCF (pH 5.5): 8.86; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 152.99; (8) ACD/KOC (pH 7.4): 4.6; (9) #H bond acceptors: 12; (10) #H bond donors: 7; (11) #Freely Rotating Bonds: 12; (12) Polar Surface Area: 118.6 Å²; (13) Index of Refraction: 1.75; (14) Molar Refractivity: 110.82 cm³; (15) Molar Volume: 272 cm³; (16) Surface Tension: 112.4 dyne/cm; (17) Density: 1.75 g/cm³; (18) Flash Point: 291.3 °C; (19) Enthalpy of Vaporization: 127.09 kJ/mol; (20) Boiling Point: 834.4 °C at 760 mmHg; (21) Vapour Pressure: 1.59E-29 mmHg at 25 °C; (22) Melting Point: 155-160 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2C(\O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)=C(/Oc3cc(O)cc(O)c23)c4ccc(O)c(OC)c4
(2) InChI: InChI=1/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1
(3) InChIKey: CQLRUIIRRZYHHS-LFXZADKFBH

Product Name

ISORHAMNETIN-3-GLUCOSIDE

Isorhamnetin-3-O-glucoside Specification

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