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60-81-1

60-81-1 structural image
Product Name: Phlorizin
Formula: C21H24O10
Synonyms: Phlorizin;Phlorizin dihydrate;1-[2-(β-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone;Floridzin;Phloretin 2′-β-D-glucopyranoside
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Off-white powder; [ChromaDex MSDS]
Melting Point 110.0 °C
Solubility 1 mg/mL at 22 °C
Collision Cross Section 194.4 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Chemical Classes Biological Agents -> Plant Oils and Extracts

SAFETY INFORMATION

Signal word Warning
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.
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 436.4 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 7
Exact Mass 436.13694696 g/mol
Monoisotopic Mass 436.13694696 g/mol
Topological Polar Surface Area 177 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 581
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

Phlorizin is an aryl beta-D-glucoside that is phloretin attached to a beta-D-glucopyranosyl residue at position 2' via a glycosidic linkage. It has a role as a plant metabolite and an antioxidant. It is an aryl beta-D-glucoside, a member of dihydrochalcones and a monosaccharide derivative. It is functionally related to a phloretin.