Chem
J-GLOBAL ID:200907004295091288   Nikkaji number:J777.254H

1-[4-(2,2-Dimethylpropanoyl)-2-deoxy-α-L-threo-pentofuranosyl]thymine

1-[4-(2,2-ジメチルプロパノイル)-2-デオキシ-α-L-threo-ペントフラノシル]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: C15H22N2O6
Molecular formula furigana: C15-H22-N2-O6
Molecular weight: 326.349
InChI: InChI=1S/C15H22N2O6/c1-8-6-17(13(22)16-11(8)20)10-5-9(19)15(7-18,23-10)12(21)14(2,3)4/h6,9-10,18-19H,5,7H2,1-4H3,(H,16,20,22)/t9-,10+,15-/m0/s1
InChI key: PFOHUDDMOLGUHH-WMFXKJRFSA-N
SMILES: Cc1cn([C@H]2C[C@H](O)[C@](CO)(O2)C(=O)C(C)(C)C)c(=O)[nH]c1=O
Systematic name  (3):
  • 1-[4-(2,2-ジメチルプロパノイル)-2-デオキシ-α-L-threo-ペントフラノシル]チミン
  • 1-[(2R,4S,5S)-5-(2,2-ジメチルプロパノイル)-4-ヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]-5-メチル-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 1-[(2R,4S,5S)-5-(2,2-dimethylpropanoyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1):
  • 1-[4-(2,2-Dimethylpropanoyl)-2-deoxy-α-L-threo-pentofuranosyl]thymine
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