(2S,3S,4S,5R,6S)-6-[(2R)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-6-[(2R)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4e0076908ee74050a8441c4e3e1825fc.png "(2S,3S,4S,5R,6S)-6-[(2R)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[(2R)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
112924-40-0
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Formula:
C22H20ClNO9
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Chemical Name:
(2S,3S,4S,5R,6S)-6-[(2R)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
(R)-Benoxaprofen glucuronide;112924-40-0;beta-D-Glucopyranuronic acid, 1-(2-(4-chlorophenyl)-alpha-methyl-5-benzoxazoleacetate), (R)-
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CAS No:
(2S,3S,4S,5R,6S)-6-[(2R)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
477.8 g/mol
477.0826589 g/mol
Computed Properties
Molecular Weight:477.8
XLogP3:2.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:477.0826589
Monoisotopic Mass:477.0826589
Topological Polar Surface Area:160
Heavy Atom Count:33
Complexity:718
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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