Chem
J-GLOBAL ID:200907000358811345   Nikkaji number:J1.177.968I

N-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxy(1′,2′,3′,4′,5′-13C5,2′,5′-2H2)adenosine

N-ベンゾイル-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシ(1′,2′,3′,4′,5′-13C5,2′,5′-2H2)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: C33[13C]5H33[2H]2N5O6
Molecular formula furigana: C38-H35-N5-O6
Molecular weight: 664.701
InChI: InChI=1S/C38H35N5O6/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-2)20-16-28)48-22-32-31(44)21-33(49-32)43-24-41-34-35(39-23-40-36(34)43)42-37(45)25-9-5-3-6-10-25/h3-20,23-24,31-33,44H,21-22H2,1-2H3,(H,39,40,42,45)/t31-,32+,33+/m0/s1/i21+1D,22+1D,31+1,32+1,33+1/t21-,22?,31+,32-,33-/m1
InChI key: LPICNYATEWGYHI-AXJIHAJGSA-N
SMILES: [13CH]([2H])(OC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)[13C@H]1O[13C@H]([13CH]([2H])[13C@@H]1O)n1cnc2c(NC(=O)c3ccccc3)ncnc12
Systematic name  (3):
  • N-ベンゾイル-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシ(1′,2′,3′,4′,5′-13C5,2′,5′-2H2)アデノシン
  • N-{9-[(2R,3R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ](13C,2H1)メチル}-4-ヒドロキシ(2,3,4,5-13C4,3-2H1)オキソラン-2-イル]-9H-プリン-6-イル}ベンズアミド
  • N-{9-[(2R,3R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy](13C,2H1)methyl}-4-hydroxy(2,3,4,5-13C4,3-2H1)oxolan-2-yl]-9H-purin-6-yl}benzamide
Other name (1):
  • N-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxy(1′,2′,3′,4′,5′-13C5,2′,5′-2H2)adenosine
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