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(-) -Gallocatechin 100mg

CAT: 0628-A12003-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A12003-100Size:100 mg
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CAS Number
3371-27-5

Chemical Information

(-)-Gallocatechin

(-)-gallocatechin is a a gallocatechin that has (2S,3R)-configuration. It has a role as an antioxidant, a metabolite and a radical scavenger. It is an enantiomer of a (+)-gallocatechin.

CAS Number3371-27-5
PubChem CID9882981
IUPAC Name(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular FormulaC15H14O7
Molecular Weight306.27
XLogP0
Topological Polar Surface Area131
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity380
SMILES
C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
InChI
InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1
InChIKey
XMOCLSLCDHWDHP-DOMZBBRYSA-N
Chemical Structure
2D Structure
2D structure of (-)-Gallocatechin
CAS: 3371-27-5
CID: 9882981
Formula: C15H14O7
MW: 306.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight306.27
XLogP30
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass306.07395278
Monoisotopic Mass306.07395278
Topological Polar Surface Area131 Ų
Heavy Atom Count22
Formal Charge0
Complexity380
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

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