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970-74-1

970-74-1 structural image
Product Name: (-)-Epigallocatechin
Formula: C15H14O7
Synonyms: (−)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol;(−)-cis-3,3′,4′,5,5′,7-Hexahydroxyflavane;(−)-Epigallocatechin
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 219 - 221 °C
Collision Cross Section 165.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 306.27 g/mol
XLogP3 0
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 1
Exact Mass 306.07395278 g/mol
Monoisotopic Mass 306.07395278 g/mol
Topological Polar Surface Area 131 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 380
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(-)-epigallocatechin is a flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration. It has a role as an antioxidant, a plant metabolite and a food component. It is a flavan-3,3',4',5,5',7-hexol and a catechin. It is an enantiomer of a (+)-epigallocatechin.