Chem
J-GLOBAL ID:200907097415999783   Nikkaji number:J1.879.801H

3′-(3,4-Dihydroxybenzyl)-3′-deoxythymidine

3′-(3,4-ジヒドロキシベンジル)-3′-デオキシチミジン
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: C17H20N2O6
Molecular formula furigana: C17-H20-N2-O6
Molecular weight: 348.355
InChI: InChI=1S/C17H20N2O6/c1-9-7-19(17(24)18-16(9)23)15-6-11(14(8-20)25-15)4-10-2-3-12(21)13(22)5-10/h2-3,5,7,11,14-15,20-22H,4,6,8H2,1H3,(H,18,23,24)/t11-,14+,15+/m0/s1
InChI key: LLMWUTFAQPISME-NILFDRSVSA-N
SMILES: Cc1cn([C@H]2C[C@H](Cc3ccc(O)c(O)c3)[C@@H](CO)O2)c(=O)[nH]c1=O
Systematic name  (4):
  • 3′-(3,4-ジヒドロキシベンジル)-3′-デオキシチミジン
  • 1-[(2R,4S,5S)-4-(3,4-ジヒドロキシベンジル)-5-(ヒドロキシメチル)テトラヒドロフラン-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)-4-[(3,4-ジヒドロキシフェニル)メチル]-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)-4-[(3,4-dihydroxyphenyl)methyl]-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (2):
  • 3′-(3,4-Dihydroxybenzyl)-3′-deoxythymidine
  • 1-[(2R,4S,5S)-4-(3,4-Dihydroxybenzyl)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
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