Chem
J-GLOBAL ID：200907061659249102   Nikkaji number：J2.629.760E

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

5′-チミジル酸5′-O-(2′-O-[(トリイソプロピルシリルオキシ)メチル]-3′-ウリジリル)-2′-O-[(トリイソプロピルシリルオキシ)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： C49H81N9O21P2Si2
Molecular formula furigana： C49-H81-N9-O21-P2-SI2
Molecular weight： 1250.347
InChI： InChI=1S/C49H81N9O21P2Si2/c1-25(2)82(26(3)4,27(5)6)73-23-69-41-39(33(18-59)76-46(41)56-15-14-36(61)54-48(56)63)78-81(67,68)72-20-35-40(79-80(65,66)71-19-34-32(60)16-37(75-34)57-17-31(13)45(62)55-49(57)64)42(70-24-74-83(28(7)8,29(9)10)30(11)12)47(77-35)58-22-53-38-43(50)51-21-52-44(38)58/h14-15,17,21-22,25-30,32-35,37,39-42,46-47,59-60H,16,18-20,23-24H2,1-13H3,(H,65,66)(H,67,68)(H2,50,51,52)(H,54,61,63)(H,55,62,64)/t32-,33+,34+,35+,37+,39+,40+,41+,42+,46+,47+/m0/s1
InChI key： PSEBOURMDZLEMR-MYXDYPEQSA-N
SMILES： CC(C)[Si](OCO[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]2OCO[Si](C(C)C)(C(C)C)C(C)C)n2ccc(=O)[nH]c2=O)O[C@H]1n1cnc2c(N)ncnc12)(C(C)C)C(C)C
Systematic name  (3)：
  • 5′-チミジル酸5′-O-(2′-O-[(トリイソプロピルシリルオキシ)メチル]-3′-ウリジリル)-2′-O-[(トリイソプロピルシリルオキシ)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-({[トリス(プロパン-2-イル)シリル]オキシ}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-({[トリス(プロパン-2-イル)シリル]オキシ}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-({[tris(propan-2-yl)silyl]oxy}methoxy)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-({[tris(propan-2-yl)silyl]oxy}methoxy)oxolan-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-[(triisopropylsilyloxy)methyl]-3′-uridylyl)-2′-O-[(triisopropylsilyloxy)methyl]-3′-adenosyl ester
Thsaurus map：
Thesaurus Map

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