Chem
J-GLOBAL ID：200907038514027410   Nikkaji number：J337.078J

1-(β-D-Glucopyranosyl)thymine

1-(β-D-グルコピラノシル)チミン
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： C11H16N2O7
Molecular formula furigana： C11-H16-N2-O7
Molecular weight： 288.256
InChI： InChI=1S/C11H16N2O7/c1-4-2-13(11(19)12-9(4)18)10-8(17)7(16)6(15)5(3-14)20-10/h2,5-8,10,14-17H,3H2,1H3,(H,12,18,19)/t5-,6-,7+,8-,10-/m1/s1
InChI key： RMXUFBPORJBBEZ-HPFNVAMJSA-N
SMILES： Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)[nH]c1=O
Systematic name  (5)：
  • 1-(β-D-グルコピラノシル)-5-メチル-2,4(1H,3H)-ピリミジンジオン
  • 1-(β-D-グルコピラノシル)-5-メチルピリミジン-2,4(1H,3H)-ジオン
  • 1-(β-D-グルコピラノシル)チミン
  • 5-メチル-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]-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 5-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (3)：
  • 1-(β-D-Glucopyranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
  • 1-(β-D-Glucopyranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
  • 1-(β-D-Glucopyranosyl)thymine
CAS registry number： 3180-78-7
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