1257-08-5
Product Name:
(-)-Epicatechin gallate
Formula:
C22H18O10
Synonyms:
(−)-cis-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate;(−)-cis-3,3′,4′,5,7-Pentahydroxyflavane 3-gallate;(−)-Epicatechin gallate;3-O-Galloylepicatechin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Melting Point | 257 - 258 °C |
Collision Cross Section | 202.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
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. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 | 442.4 g/mol |
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XLogP3 | 1.5 |
Hydrogen Bond Donor Count | 7 |
Hydrogen Bond Acceptor Count | 10 |
Rotatable Bond Count | 4 |
Exact Mass | 442.08999677 g/mol |
Monoisotopic Mass | 442.08999677 g/mol |
Topological Polar Surface Area | 177 Ų |
Heavy Atom Count | 32 |
Formal Charge | 0 |
Complexity | 649 |
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
(-)-epicatechin-3-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. It has a role as a metabolite, an EC 3.2.1.1 (alpha-amylase) inhibitor and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a catechin, a gallate ester and a polyphenol. It is functionally related to a (-)-epicatechin and a gallic acid.