Chem
J-GLOBAL ID：200907071954317344   Nikkaji number：J377.536D

2-[2-(3,4,5-Trimethoxyphenyl)ethoxy]adenosine

2-[2-(3,4,5-トリメトキシフェニル)エトキシ]アデノシン
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： C21H27N5O8
Molecular formula furigana： C21-H27-N5-O8
Molecular weight： 477.474
InChI： InChI=1S/C21H27N5O8/c1-30-11-6-10(7-12(31-2)17(11)32-3)4-5-33-21-24-18(22)14-19(25-21)26(9-23-14)20-16(29)15(28)13(8-27)34-20/h6-7,9,13,15-16,20,27-29H,4-5,8H2,1-3H3,(H2,22,24,25)/t13-,15-,16-,20-/m1/s1
InChI key： WEPUZIQJMHMFOF-KHTYJDQRSA-N
SMILES： COc1cc(CCOc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc(OC)c1OC
Systematic name  (3)：
  • 2-[2-(3,4,5-トリメトキシフェニル)エトキシ]アデノシン
  • (2R,3R,4S,5R)-2-{6-アミノ-2-[2-(3,4,5-トリメトキシフェニル)エトキシ]-9H-プリン-9-イル}-5-(ヒドロキシメチル)オキソラン-3,4-ジオール
  • (2R,3R,4S,5R)-2-{6-amino-2-[2-(3,4,5-trimethoxyphenyl)ethoxy]-9H-purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol
Other name (1)：
  • 2-[2-(3,4,5-Trimethoxyphenyl)ethoxy]adenosine
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