(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-5-methylphenoxy)oxane-2-carboxylic acid
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(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-5-methylphenoxy)oxane-2-carboxylic acid
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CAS No:
117591-51-2
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Formula:
C13H16O8
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Chemical Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-5-methylphenoxy)oxane-2-carboxylic acid
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Synonyms:
117591-51-2;2-Hydroxy-5-methylphenyl hexopyranosiduronic acid;DTXSID50922465;4-Methylcatechol-2-O-beta-D-glucopyranuronic acid;A807236;beta-D-Glucopyranosiduronic acid, 2-hydroxy-5-methylphenyl;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-5-methylphenoxy)-2-oxanecarboxylic acid;(2S,3S,4S,5R,6S)-6-(5-methyl-2-oxidanyl-phenoxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
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CAS No:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-5-methylphenoxy)oxane-2-carboxylic acid Basic Attributes
300.26 g/mol
300.08451746 g/mol
Computed Properties
Molecular Weight:300.26
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:300.08451746
Monoisotopic Mass:300.08451746
Topological Polar Surface Area:137
Heavy Atom Count:21
Complexity:375
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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