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Quercetin 3-b-D-glucoside

CAT: 0862-GC9169-50mgSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0862-GC9169-50mgSize:50 mg
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CAS Number
21637-25-2
MDL Number
MFCD00017746
HS Code
2938909090
Purity
95.00%
Molecular Formula
C21H20O12
Molecular Weight
464.38
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

Isoquercitrin

Quercetin 3-O-beta-D-glucofuranoside is a quercetin O-glucoside in which a glucofuranosyl residue is attached at position 3 of quercetin via a beta-glycosidic linkage. It has a role as a metabolite. It is a beta-D-glucoside, a tetrahydroxyflavone, a monosaccharide derivative and a quercetin O-glucoside.

CAS Number21637-25-2
PubChem CID5484006
IUPAC Name3-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Molecular FormulaC21H20O12
Molecular Weight464.4
XLogP0.4
Topological Polar Surface Area207
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity758
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)O)O
InChI
InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1
InChIKey
OPJZLUXFQFQYAI-GNPVFZCLSA-N
Chemical Structure
2D Structure
2D structure of Isoquercitrin
CAS: 21637-25-2
CID: 5484006
Formula: C21H20O12
MW: 464.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.4
XLogP30.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass464.09547607
Monoisotopic Mass464.09547607
Topological Polar Surface Area207 Ų
Heavy Atom Count33
Formal Charge0
Complexity758
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-Q509495-50MGQuercetin 3-O-b-D Glucoside
sc-229029Quercetin 3-β-D-glucoside
463334-01Quercetin 3-O-β-D Glucoside
AB1408Quercetin 3'-O-β-D-glucoside
583124Quercetin-3'-glucoside
M32180-01Quercetin-3-glucoside
TRC-Q510035-10MGQuercetin 3-O-(6''-O-Malonyl)-b-D-glucoside
MBS5801647Quercetin 3-O-(6-O-malonyl)-b-D-glucoside
RM-Q050905-01Quercetin 5-0-β-D-glucoside
GTR19179181-01Quercetin-3'-O-glucoside

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