Ibuprofen glucuronide
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Ibuprofen glucuronide
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CAS No:
115075-59-7
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Formula:
C19H26O8
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Chemical Name:
Ibuprofen glucuronide
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Synonyms:
β-D-Glucopyranuronic acid,1-[α-methyl-4-(2-methylpropyl)benzeneacetate];Ibuprofen glucuronide;Ibuprofen-β-D-glucuronide
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CAS No:
Description
White Solid
1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid is a terpene glycoside.
Characteristics
133.52000
0.42400
1.34±0.1 g/cm3(Predicted)
26-28°C
567.3±50.0 °C(Predicted)
198.3ºC
1.581
Hygroscopic, -20°C Freezer, Under Inert Atmosphere
1.05E-13mmHg at 25°C
Computed Properties
Molecular Weight:382.4
XLogP3:2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:382.16276778
Monoisotopic Mass:382.16276778
Topological Polar Surface Area:134
Heavy Atom Count:27
Complexity:514
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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