Chem
J-GLOBAL ID：200907017020784555   Nikkaji number：J2.629.755I

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

2′-O-メチル-3′-シチジル酸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： C20H28N5O12P
Molecular formula furigana： C20-H28-N5-O12-P
Molecular weight： 561.441
InChI： InChI=1S/C20H28N5O12P/c1-9-6-25(20(30)23-17(9)28)14-5-10(27)12(35-14)8-34-38(31,32)37-15-11(7-26)36-18(16(15)33-2)24-4-3-13(21)22-19(24)29/h3-4,6,10-12,14-16,18,26-27H,5,7-8H2,1-2H3,(H,31,32)(H2,21,22,29)(H,23,28,30)/t10-,11+,12+,14+,15+,16+,18+/m0/s1
InChI key： OWBQRRKGWQTRFV-WWJUSVCISA-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]1n1ccc(N)nc1=O
Systematic name  (3)：
  • 2′-O-メチル-3′-シチジル酸5′-チミジル
  • {[(2R,3R,4R,5R)-5-(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-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-(4-amino-2-oxo-1,2-dihydropyrimidin-1-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′-cytidylic acid 5′-thymidyl ester
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