Octanoyl-β-D-glucuronide
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Octanoyl-β-D-glucuronide
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CAS No:
99910-55-1
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Formula:
C14H24O8
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Chemical Name:
Octanoyl-β-D-glucuronide
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Synonyms:
β-D-Glucopyranuronic acid,1-octanoate;Octanoyl-β-D-glucuronide
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CAS No:
Description
Solid
Octanoyl-beta-D-glucuronide is a carboxylic ester resulting from the formal condensation of the carboxylic acid group of octanoic (caprylic) acid with the anomeric hydroxy group of beta-D-glucuronic acid. It has a role as a metabolite. It is a beta-D-glucosiduronic acid, an octanoate ester and an O-acyl carbohydrate. It derives from a beta-D-glucuronic acid.
Computed Properties
Molecular Weight:320.34
XLogP3:1.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:320.14711772
Monoisotopic Mass:320.14711772
Topological Polar Surface Area:134
Heavy Atom Count:22
Complexity:372
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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