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13405-60-2

13405-60-2 structural image
Product Name: 1-Galloyl-glucose
Formula: C13H16O10
Synonyms: β-D-Glucopyranose 1-(3,4,5-trihydroxybenzoate);β-Glucogallin;1-O-Galloyl-β-D-glucopyranose
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements 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.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P363:Wash contaminated clothing before reuse.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313:IF eye irritation persists: Get medical advice/attention.
P405:Store locked up.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 332.26 g/mol
XLogP3 -1.4
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 4
Exact Mass 332.07434670 g/mol
Monoisotopic Mass 332.07434670 g/mol
Topological Polar Surface Area 177 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 406
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
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

1-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having a galloyl group at the 1-position. It is a gallate ester and a galloyl beta-D-glucose.