(2S,3S,4S,5R,6S)-6-[2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-6-[2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/455c405a1d204784a5eecc55cf6638ed.png "(2S,3S,4S,5R,6S)-6-[2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
98054-93-4
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Formula:
C23H20ClFN2O8
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Chemical Name:
(2S,3S,4S,5R,6S)-6-[2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
98054-93-4;DTXSID80913487;beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate);1-O-{[4-(4-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-3-yl]acetyl}hexopyranuronic acid
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CAS No:
(2S,3S,4S,5R,6S)-6-[2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
506.9 g/mol
506.0892215 g/mol
Computed Properties
Molecular Weight:506.9
XLogP3:2.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:506.0892215
Monoisotopic Mass:506.0892215
Topological Polar Surface Area:151
Heavy Atom Count:35
Complexity:749
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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