(2S,3S,4R,5R,6S)-3-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-4-cyclopentyl-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
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![(2S,3S,4R,5R,6S)-3-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-4-cyclopentyl-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4cfec3a6343447eca132f6f8d9efc70e.png "(2S,3S,4R,5R,6S)-3-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-4-cyclopentyl-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid")
(2S,3S,4R,5R,6S)-3-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-4-cyclopentyl-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
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CAS No:
112174-10-4
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Formula:
C24H37NO9
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Chemical Name:
(2S,3S,4R,5R,6S)-3-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-4-cyclopentyl-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
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Synonyms:
1''-Dehydropenbutolol 2-glucuronide;112174-10-4;DTXSID30149936;beta-D-Glucopyranosiduronic acid, 3-cyclopentyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl, (S)-
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CAS No:
(2S,3S,4R,5R,6S)-3-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-4-cyclopentyl-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid Basic Attributes
483.6 g/mol
483.24683176 g/mol
DTXSID30149936
Computed Properties
Molecular Weight:483.6
XLogP3:-0.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:483.24683176
Monoisotopic Mass:483.24683176
Topological Polar Surface Area:158
Heavy Atom Count:34
Complexity:674
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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