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p-Cresol glucuronide

p-Cresol glucuronide structure

p-Cresol glucuronide 

structure
  • CAS No:

    17680-99-8

  • Formula:

    C13H16O7

  • Chemical Name:

    p-Cresol glucuronide

  • Synonyms:

    β-D-Glucopyranosiduronic acid,4-methylphenyl;Glucopyranosiduronic acid,p-tolyl,β-D-;β-D-Glucosiduronic acid,p-tolyl;4-Methylphenyl β-D-glucopyranosiduronic acid;p-Tolyl-β-glucuronic acid;p-Methylphenyl-β-D-glucopyranosiduronic acid;4-Cresol glucuronide;p-Cresol glucuronide;30104-39-3

Description

Solid


P-tolyl beta-D-glucuronide is a glucosiduronic acid that is beta-D-glucuronic acid in which the anomeric hydroxyl hydrogen is replaced by a p-tolyl group. It has a role as a rat metabolite and a mouse metabolite. It is a conjugate acid of a p-tolyl beta-D-glucuronide(1-).

p-Cresol glucuronide Basic Attributes

284.26 g/mol

284.26

DTXSID40170195

Characteristics

116 Ų

145-149 °C

Drug Information

4-cresylglucuronide

Computed Properties

Molecular Weight:284.26
XLogP3:0.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:284.08960285
Monoisotopic Mass:284.08960285
Topological Polar Surface Area:116
Heavy Atom Count:20
Complexity:340
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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