5-ethyl-5-pentan-2-yl-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-pentan-2-yl-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/20220812/cc5cae56236344fba0df364af75d9f59.png "5-ethyl-5-pentan-2-yl-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-pentan-2-yl-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:
147839-07-4
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Formula:
C17H28N2O8
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Chemical Name:
5-ethyl-5-pentan-2-yl-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)pentobarbital;1-(glucopyranosyl)pentobarbital;1-(glucopyranosyl)pentobarbital, (R-(R*,R*))-isomer;1-(glucopyranosyl)pentobarbital, (R-(R*,S*))-isomer;1-(glucopyranosyl)pentobarbital, (S-(R*,R*))-isomer;1-Glu-pentobarbital;5-ethyl-5-(1'-methylbutyl)-1-(beta-D-glucopyranosyl)barbituric acid;147839-07-4;1-Glu-pentobarbital;1-(Glucopyranosyl)pentobarbital;DTXSID30933231;1-(beta-D-Glucopyranosyl)pentobarbital;5-Ethyl-5-(1'-methylbutyl)-1-(beta-D-glucopyranosyl)barbituric acid;5-Ethyl-3-hexopyranosyl-6-hydroxy-5-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione
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CAS No:
5-ethyl-5-pentan-2-yl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione Basic Attributes
388.4 g/mol
388.18456586 g/mol
Computed Properties
Molecular Weight:388.4
XLogP3:0.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:388.18456586
Monoisotopic Mass:388.18456586
Topological Polar Surface Area:157
Heavy Atom Count:27
Complexity:600
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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