Chem
J-GLOBAL ID：200907000124112885
Nikkaji number：J637.024A
(5R)-5-Ethyl-5-[(S)-1-methylbutyl]-1-(β-D-glucopyranosyl)barbituric acid
(5R)-5-エチル-5-[(S)-1-メチルブチル]-1-(β-D-グルコピラノシル)バルビツル酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C17H28N2O8
Molecular formula furigana： C17-H28-N2-O8
Molecular weight： 388.417
InChI：
InChI=1S/C17H28N2O8/c1-4-6-8(3)17(5-2)14(24)18-16(26)19(15(17)25)13-12(23)11(22)10(21)9(7-20)27-13/h8-13,20-23H,4-7H2,1-3H3,(H,18,24,26)/t8-,9+,10+,11-,12+,13+,17+/m0/s1
InChI key：
KVCUMBIRVZPZCG-UKMGWISGSA-N
SMILES：
CCC[C@H](C)[C@]1(CC)C(=O)NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O
Systematic name (3)：
- (5R)-5-エチル-5-[(S)-1-メチルブチル]-1-(β-D-グルコピラノシル)バルビツル酸
- (5R)-5-エチル-5-[(2S)-ペンタン-2-イル]-1-[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]-1,3-ジアジナン-2,4,6-トリオン
- (5R)-5-ethyl-5-[(2S)-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
- (5R)-5-Ethyl-5-[(S)-1-methylbutyl]-1-(β-D-glucopyranosyl)barbituric acid
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