Chem
J-GLOBAL ID：200907048690046744   Nikkaji number：J2.629.763J

5′-Thymidylic acid 5′-O-(2′-O-methyl-3′-uridylyl)-2′-O-methyl-3′-adenosyl ester

5′-チミジル酸5′-O-(2′-O-メチル-3′-ウリジリル)-2′-O-メチル-3′-アデノシル
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： C31H41N9O19P2
Molecular formula furigana： C31-H41-N9-O19-P2
Molecular weight： 905.661
InChI： InChI=1S/C31H41N9O19P2/c1-13-7-39(31(46)37-27(13)44)19-6-14(42)16(55-19)9-53-60(47,48)59-22-17(57-29(24(22)52-3)40-12-35-20-25(32)33-11-34-26(20)40)10-54-61(49,50)58-21-15(8-41)56-28(23(21)51-2)38-5-4-18(43)36-30(38)45/h4-5,7,11-12,14-17,19,21-24,28-29,41-42H,6,8-10H2,1-3H3,(H,47,48)(H,49,50)(H2,32,33,34)(H,36,43,45)(H,37,44,46)/t14-,15+,16+,17+,19+,21+,22+,23+,24+,28+,29+/m0/s1
InChI key： RSULPZBTVPUKPS-KIMFUCOESA-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](COP(=O)(O)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2OC)n2ccc(=O)[nH]c2=O)O[C@H]1n1cnc2c(N)ncnc12
Systematic name  (3)：
  • 5′-チミジル酸5′-O-(2′-O-メチル-3′-ウリジリル)-2′-O-メチル-3′-アデノシル
  • {[(2R,3R,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-2-{[({[(2R,3R,4R,5R)-5-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-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}(ヒドロキシ)ホスホリル)オキシ]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-{[({[(2R,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-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)：
  • 5′-Thymidylic acid 5′-O-(2′-O-methyl-3′-uridylyl)-2′-O-methyl-3′-adenosyl ester
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