Chem
J-GLOBAL ID：200907091280081723   Nikkaji number：J2.629.758C

2′-O-Methyl-3′-adenylic acid 5′-thymidyl ester

2′-O-メチル-3′-アデニル酸5′-チミジル
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： C21H28N7O11P
Molecular formula furigana： C21-H28-N7-O11-P
Molecular weight： 585.467
InChI： InChI=1S/C21H28N7O11P/c1-9-4-27(21(32)26-19(9)31)13-3-10(30)12(37-13)6-36-40(33,34)39-15-11(5-29)38-20(16(15)35-2)28-8-25-14-17(22)23-7-24-18(14)28/h4,7-8,10-13,15-16,20,29-30H,3,5-6H2,1-2H3,(H,33,34)(H2,22,23,24)(H,26,31,32)/t10-,11+,12+,13+,15+,16+,20+/m0/s1
InChI key： QBDRWGZDBHTBAN-FZQXZCJRSA-N
SMILES： CO[C@@H]1[C@H](OP(=O)(O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
Systematic name  (3)：
  • 2′-O-メチル-3′-アデニル酸5′-チミジル
  • {[(2R,3R,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-2-(ヒドロキシメチル)-4-メトキシオキソラン-3-イル]オキシ}({[(2R,3S,5R)-3-ヒドロキシ-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-2-イル]メトキシ})ホスフィン酸
  • {[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy}({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid
Other name (1)：
  • 2′-O-Methyl-3′-adenylic acid 5′-thymidyl ester
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