Chem
J-GLOBAL ID：200907050534669728   Nikkaji number：J1.659.209I

3′-O-(2-Carboxy-4,5-dichlorobenzoyl)-5′-O-(4,4′-dimethoxytrityl)thymidine

3′-O-(2-カルボキシ-4,5-ジクロロベンゾイル)-5′-O-(4,4′-ジメトキシトリチル)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： C39H34Cl2N2O10
Molecular formula furigana： C39-H34-CL2-N2-O10
Molecular weight： 761.610
InChI： InChI=1S/C39H34Cl2N2O10/c1-22-20-43(38(48)42-35(22)44)34-19-32(53-37(47)29-18-31(41)30(40)17-28(29)36(45)46)33(52-34)21-51-39(23-7-5-4-6-8-23,24-9-13-26(49-2)14-10-24)25-11-15-27(50-3)16-12-25/h4-18,20,32-34H,19,21H2,1-3H3,(H,45,46)(H,42,44,48)/t32-,33+,34+/m0/s1
InChI key： LDFVHTHWNLILMS-LBFZIJHGSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OC(=O)c1cc(Cl)c(Cl)cc1C(=O)O)n1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 3′-O-(2-カルボキシ-4,5-ジクロロベンゾイル)-5′-O-(4,4′-ジメトキシトリチル)チミジン
  • 2-({[(2R,3S,5R)-2-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-5-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)オキソラン-3-イル]オキシ}カルボニル)-4,5-ジクロロ安息香酸
  • 2-({[(2R,3S,5R)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy}carbonyl)-4,5-dichlorobenzoic acid
Other name (1)：
  • 3′-O-(2-Carboxy-4,5-dichlorobenzoyl)-5′-O-(4,4′-dimethoxytrityl)thymidine
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