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(-)-Epiafzelechin 3-O-gallate

(-)-Epiafzelechin 3-O-gallate structure

CAS No:
108907-43-3
Formula:
C22H18O9
Chemical Name:
(-)-Epiafzelechin 3-O-gallate
Synonyms:
Benzoic acid,3,4,5-trihydroxy-,(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-3-yl ester;Benzoic acid,3,4,5-trihydroxy-,3,4-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-3-yl ester,(2R-cis)-;(-)-Epiafzelechin 3-O-gallate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Epiafzelechin 3-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epiafzelechin. It has a role as a Camellia sinensis metabolite. It is a gallate ester, a polyphenol and a member of flavans. It derives from a (-)-epiafzelechin.

(-)-Epiafzelechin 3-O-gallate Basic Attributes

Molecular Weight：

426.4 g/mol

Exact Mass：

426.37

Characteristics

PSA：

157 Å²

XLogP3：

2.822

Melting Point：

242-244 °C (decomp)

(-)-Epiafzelechin 3-O-gallate Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Flavans, Flavanols and Leucoanthocyanidins [PK1202]

Computed Properties

Molecular Weight:426.4
XLogP3:1.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:426.09508215
Monoisotopic Mass:426.09508215
Topological Polar Surface Area:157
Heavy Atom Count:31
Complexity:610
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

773859-55-5

773859-52-2

773859-57-7

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CAS No.: 108907-43-3

Grade: Industrial Grade

Content: 99%

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Guide of (-)-Epiafzelechin 3-O-gallate

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Synthesis Route
Recommended Suppliers
Latest News
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