Chem
J-GLOBAL ID：200907005158915784   Nikkaji number：J407.178F

(5S)-5α-(3-Methylbutyl)-5-ethyl-1-(β-D-glucopyranosyl)pyrimidine-2,4,6(1H,3H,5H)-trione

(5S)-5α-(3-メチルブチル)-5-エチル-1-(β-D-グルコピラノシル)ピリミジン-2,4,6(1H,3H,5H)-トリオン
Substance type：
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
Molecular formula： C17H28N2O8
Molecular formula furigana： C17-H28-N2-O8
Molecular weight： 388.417
InChI： InChI=1S/C17H28N2O8/c1-4-17(6-5-8(2)3)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)/t9-,10-,11+,12-,13-,17+/m1/s1
InChI key： PKKCVZFJXARZCB-SMRJSSSNSA-N
SMILES： CC[C@]1(CCC(C)C)C(=O)NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O
Systematic name  (4)：
  • (5S)-5-エチル-5α-(3-メチルブチル)-1-(β-D-グルコピラノシル)ピリミジン-2,4,6(1H,3H,5H)-トリオン
  • (5S)-5α-(3-メチルブチル)-5-エチル-1-(β-D-グルコピラノシル)ピリミジン-2,4,6(1H,3H,5H)-トリオン
  • (5S)-5-エチル-5-(3-メチルブチル)-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
  • (5S)-5-ethyl-5-(3-methylbutyl)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione
Other name (2)：
  • (5S)-5α-(3-Methylbutyl)-5-ethyl-1-(β-D-glucopyranosyl)pyrimidine-2,4,6(1H,3H,5H)-trione
  • (5S)-5-Ethyl-5α-(3-methylbutyl)-1-(β-D-glucopyranosyl)pyrimidine-2,4,6(1H,3H,5H)-trione
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