(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethylamino)oxane-2-carboxylic acid
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(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethylamino)oxane-2-carboxylic acid
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CAS No:
51643-42-6
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Formula:
C14H19NO6
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Chemical Name:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethylamino)oxane-2-carboxylic acid
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Synonyms:
2-phenylethylamine glucuronide;Phenethylamine glucuronide;51643-42-6;2-Phenylethylamine glucuronide;SCHEMBL21594823;DTXSID40965947;CHEBI:174831;N-(2-Phenylethyl)hexopyranuronosylamine;beta-D-Glucopyranuronic acid, 1-deoxy-1-((2-phenylethyl)amino)-;(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethylamino)oxane-2-carboxylic acid;(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-phenylethyl)amino]oxane-2-carboxylic acid
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CAS No:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethylamino)oxane-2-carboxylic acid Basic Attributes
297.30 g/mol
297.12123733 g/mol
Computed Properties
Molecular Weight:297.30
XLogP3:-2.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:297.12123733
Monoisotopic Mass:297.12123733
Topological Polar Surface Area:119
Heavy Atom Count:21
Complexity:346
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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