Chem
J-GLOBAL ID：200907002503819255   Nikkaji number：J1.634.438I

5′-O-(2′-Deoxy-3′-guanylyl)-3′-thymidylic acid

5′-O-(2′-デオキシ-3′-グアニリル)-3′-チミジル酸
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： C20H27N7O14P2
Molecular formula furigana： C20-H27-N7-O14-P2
Molecular weight： 651.419
InChI： InChI=1S/C20H27N7O14P2/c1-8-4-26(20(31)25-17(8)29)13-3-10(40-42(32,33)34)12(39-13)6-37-43(35,36)41-9-2-14(38-11(9)5-28)27-7-22-15-16(27)23-19(21)24-18(15)30/h4,7,9-14,28H,2-3,5-6H2,1H3,(H,35,36)(H,25,29,31)(H2,32,33,34)(H3,21,23,24,30)/t9-,10-,11+,12+,13+,14+/m0/s1
InChI key： UXKYTMLAXHUSNZ-PRSXHHODSA-N
SMILES： Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cnc4c3nc(N)[nH]c4=O)O2)c(=O)[nH]c1=O
Systematic name  (3)：
  • 5′-O-(2′-デオキシ-3′-グアニリル)-3′-チミジル酸
  • {[(2R,3S,5R)-2-{[({[(2R,3S,5R)-5-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)-2-(ヒドロキシメチル)オキソラン-3-イル]オキシ}(ヒドロキシ)ホスホリル)オキシ]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}ホスホン酸
  • {[(2R,3S,5R)-2-{[({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy}phosphonic acid
Other name (1)：
  • 5′-O-(2′-Deoxy-3′-guanylyl)-3′-thymidylic acid
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