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(-) -Epiafzelechin

CAT: 0127-BUP00514-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP00514-01Size:1 mg
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CAS Number
24808-04-6
Purity
=98%
Smiles
O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1

Chemical Information

(-)-Epiafzelechin

(-)-epiafzelechin is a catechin derivative having (2R,3R)-configuration. It has a role as a plant metabolite.

CAS Number24808-04-6
PubChem CID443639
IUPAC Name(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular FormulaC15H14O5
Molecular Weight274.27
XLogP0.7
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity328
SMILES
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1
InChIKey
RSYUFYQTACJFML-UKRRQHHQSA-N
Chemical Structure
2D Structure
2D structure of (-)-Epiafzelechin
CAS: 24808-04-6
CID: 443639
Formula: C15H14O5
MW: 274.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.27
XLogP30.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass274.08412354
Monoisotopic Mass274.08412354
Topological Polar Surface Area90.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity328
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TB00258(-)-Epiafzelechin
GTR19183527-01(-) -Epiafzelechin
TN5479Afzelechin- (4α→8) -epiafzelechin
MBS5787594Afzelechin-(4alpha-->8)-epiafzelechin
IEA90743-01(-) -Epiafzelechin 3-o-gallate
HY-N8589(-) -Epiafzelechin-3-O-gallate
MBS5787111(-)-Epiafzelechin 3-O-gallate
AR-E01478-01(-) -Epiafzelechin 7-O-Glucopyranoside
TN7440-01Epiafzelechin- (2beta-O->7,4beta->8) -ent-epicatechin

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