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(+)-Epicatechin

(+)-Epicatechin structure

CAS No:
35323-91-2
Formula:
C15H14O6
Chemical Name:
(+)-Epicatechin
Synonyms:
2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2S,3S)-;2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2S-cis)-;(2S,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;(+)-Epicatechol;d-Epicatechin;(+)-Epicatechin;(2S,3S)-(+)-Epicatechin;ent-Epicatechin
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

ChEBI: A catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer).

Solid

(+)-epicatechin is a catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer). It has a role as a cyclooxygenase 1 inhibitor and a plant metabolite. It is a catechin and a polyphenol. It is an enantiomer of a (-)-epicatechin.

(+)-Epicatechin Basic Attributes

Molecular Weight：

290.27

Exact Mass：

290.27

EC Number：

207-710-1

UNII：

LD6B6TT8Q5

HScode：

2932999099

Characteristics

PSA：

110.38000

XLogP3：

1.54610

Appearance：

Solid

Density：

1.593 g/cm3

Melting Point：

234-238 °C

Boiling Point：

352.36°C (rough estimate)

Flash Point：

335ºC

Refractive Index：

1.741

Water Solubility：

6.311e+004 mg/L @ 25 °C (est)

Storage Conditions：

2-8°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

KB3745000

Marks：

Computed Properties

Molecular Weight:290.27
XLogP3:0.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:290.07903816
Monoisotopic Mass:290.07903816
Topological Polar Surface Area:110
Heavy Atom Count:21
Complexity:364
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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