5-ethyl-5-phenyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione
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![5-ethyl-5-phenyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/feff426e48a64edb9599b247b721c929.png "5-ethyl-5-phenyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione")
5-ethyl-5-phenyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione
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CAS No:
72209-10-0
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Formula:
C18H22N2O8
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Chemical Name:
5-ethyl-5-phenyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione
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Synonyms:
1-(beta-D-glucopyranosyl)phenobarbital;1-GPPB;5-ethyl-1-(1-beta-glucopyranosyl)-5-phenyl-2,4,6-(1H,3H,5H)pyrimidinetrione;phenobarbital-N-glucoside;72209-10-0;5-ethyl-5-phenyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione;5-Ethyl-1-beta-D-glucopyranosyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione;1-Gppb;Phenobarbital-N-glucoside;(S)-Phenobarbitone N-glucoside;CHEMBL3706521;1-(beta-D-Glucopyranosyl)phenobarbital;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-beta-D-glucopyranosyl-5-phenyl-;5-Ethyl-1-(1-beta-glucopyranosyl)-5-phenyl-2,4,6-(1H,3H,5H)pyrimidinetrione
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CAS No:
5-ethyl-5-phenyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione Basic Attributes
394.4 g/mol
394.13761566 g/mol
Computed Properties
Molecular Weight:394.4
XLogP3:-0.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:394.13761566
Monoisotopic Mass:394.13761566
Topological Polar Surface Area:157
Heavy Atom Count:28
Complexity:637
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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