Chem
J-GLOBAL ID：200907066498376895   Nikkaji number：J2.629.761C

2′-O-[(Triisopropylsilyloxy)methyl]-3′-adenylic acid 5′-thymidyl ester

2′-O-[(トリイソプロピルシリルオキシ)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： C30H48N7O12PSi
Molecular formula furigana： C30-H48-N7-O12-P-SI
Molecular weight： 757.810
InChI： InChI=1S/C30H48N7O12PSi/c1-15(2)51(16(3)4,17(5)6)46-14-44-25-24(20(10-38)48-29(25)37-13-34-23-26(31)32-12-33-27(23)37)49-50(42,43)45-11-21-19(39)8-22(47-21)36-9-18(7)28(40)35-30(36)41/h9,12-13,15-17,19-22,24-25,29,38-39H,8,10-11,14H2,1-7H3,(H,42,43)(H2,31,32,33)(H,35,40,41)/t19-,20+,21+,22+,24+,25+,29+/m0/s1
InChI key： DLXJKZSZDIZJAF-PKFILMNLSA-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](CO)O[C@H]1n1cnc2c(N)ncnc12)(C(C)C)C(C)C
Systematic name  (3)：
  • 2′-O-[(トリイソプロピルシリルオキシ)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-({[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-(hydroxymethyl)-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)：
  • 2′-O-[(Triisopropylsilyloxy)methyl]-3′-adenylic acid 5′-thymidyl ester
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