(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-[2-(3-phenylpropanoyl)phenoxy]-3-(propylamino)propan-2-yl]oxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-[2-(3-phenylpropanoyl)phenoxy]-3-(propylamino)propan-2-yl]oxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/07a4f901f9794711a6a678c6d9b6a5d6.png "(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-[2-(3-phenylpropanoyl)phenoxy]-3-(propylamino)propan-2-yl]oxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-[2-(3-phenylpropanoyl)phenoxy]-3-(propylamino)propan-2-yl]oxyoxane-2-carboxylic acid
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CAS No:
91411-76-6
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Formula:
C27H35NO9
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Chemical Name:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-[2-(3-phenylpropanoyl)phenoxy]-3-(propylamino)propan-2-yl]oxyoxane-2-carboxylic acid
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Synonyms:
Propafenone glucuronide;91411-76-6;DTXSID00919764;(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-[2-(3-phenylpropanoyl)phenoxy]-3-(propylamino)propan-2-yl]oxyoxane-2-carboxylic acid;1-[2-(3-Phenylpropanoyl)phenoxy]-3-(propylamino)propan-2-yl hexopyranosiduronic acid;beta-D-Glucopyranosiduronic acid, 1-((2-(1-oxo-3-phenylpropyl)phenoxy)methyl)-2-(propylamino)ethyl
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CAS No:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-[2-(3-phenylpropanoyl)phenoxy]-3-(propylamino)propan-2-yl]oxyoxane-2-carboxylic acid Basic Attributes
517.6 g/mol
517.23118169 g/mol
Computed Properties
Molecular Weight:517.6
XLogP3:-0.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:14
Exact Mass:517.23118169
Monoisotopic Mass:517.23118169
Topological Polar Surface Area:155
Heavy Atom Count:37
Complexity:701
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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