Products for Research Use Only

ISOQUERCITRIN b

CAT: 0013-GTR19158873-01Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19158873-01Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Isoquercitrin is an effective antioxidant and an eosinophilic inflammation suppressor.
CAS Number
21637-25-2
Product Name Alternative
Isoquercetin | Isoquercitroside
Purity
>98% (HPLC)
Solubility
DMSO:125 mg/mL (269.18 mM) Need ultrasonic
Smiles
OC[C@H]1O[C@@H] (Oc2c (oc3cc (O) cc (O) c3c2=O) -c2ccc (O) c (O) c2) [C@H] (O) [C@@H] (O) [C@@H]1O
Molecular Formula
C21H20O12
Molecular Weight
464.38
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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...
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