(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylic acid
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(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylic acid
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CAS No:
107551-97-3
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Formula:
C16H28O7
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Chemical Name:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylic acid
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Synonyms:
menthol glucuronide;Neomenthol-glucuronide;(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylic acid;Menthol glucuronide;107551-97-3;SCHEMBL10276294;CHEBI:89610;DTXSID50910362;Q27161808;5-Methyl-2-(propan-2-yl)cyclohexyl hexopyranosiduronic acid;2-Isopropyl-5-methylcyclohexyl beta-D-glucopyranosiduronic acid
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CAS No:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylic acid Basic Attributes
332.39 g/mol
332.18350323 g/mol
Drug Information
(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylic acid is a known human metabolite of Neomenthol.
menthol glucuronide
Computed Properties
Molecular Weight:332.39
XLogP3:1.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:332.18350323
Monoisotopic Mass:332.18350323
Topological Polar Surface Area:116
Heavy Atom Count:23
Complexity:413
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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