(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[4-(thiophene-2-carbonyl)phenyl]propanoyloxy]oxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[4-(thiophene-2-carbonyl)phenyl]propanoyloxy]oxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/070283c881a243b182a4120f676b3f4e.png "(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[4-(thiophene-2-carbonyl)phenyl]propanoyloxy]oxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[4-(thiophene-2-carbonyl)phenyl]propanoyloxy]oxane-2-carboxylic acid
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CAS No:
96740-53-3
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Formula:
C20H20O9S
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Chemical Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[4-(thiophene-2-carbonyl)phenyl]propanoyloxy]oxane-2-carboxylic acid
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Synonyms:
suprofen acyl glucuronide;suprofen glucuronide;96740-53-3;Suprofen acyl glucuronide;DTXSID00914335;1-O-{2-[4-(Thiophene-2-carbonyl)phenyl]propanoyl}hexopyranuronic acid;beta-D-Glucopyranuronic acid, 1-(alpha-methyl-4-(2-thienylcarbonyl)benzeneacetate)
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CAS No:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[4-(thiophene-2-carbonyl)phenyl]propanoyloxy]oxane-2-carboxylic acid Basic Attributes
436.4 g/mol
436.08280338 g/mol
Computed Properties
Molecular Weight:436.4
XLogP3:1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:436.08280338
Monoisotopic Mass:436.08280338
Topological Polar Surface Area:179
Heavy Atom Count:30
Complexity:648
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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