3′-O-(5′-Thymidylyl)-5′-O-(3′-thymidylyl)thymidine

3′-O-(5′-チミジリル)-5′-O-(3′-チミジリル)チミジン

Decided structure
Molecular formula： C₃₀H₄₀N₆O₁₉P₂
Molecular formula furigana： C30-H40-N6-O19-P2
Molecular weight： 850.621

InChI： InChI=1S/C30H40N6O19P2/c1-13-7-34(28(42)31-25(13)39)22-4-16(38)20(52-22)11-49-56(45,46)55-18-6-24(36-9-15(3)27(41)33-30(36)44)53-21(18)12-50-57(47,48)54-17-5-23(51-19(17)10-37)35-8-14(2)26(40)32-29(35)43/h7-9,16-24,37-38H,4-6,10-12H2,1-3H3,(H,45,46)(H,47,48)(H,31,39,42)(H,32,40,43)(H,33,41,44)/t16-,17-,18-,19+,20+,21+,22+,23+,24+/m0/s1

InChI key： NHNQSCZKEGUUKX-DNIZJRTKSA-N

SMILES： Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O

Systematic name (5)：

3′-O-[3′-O-(5′-チミジリル)-5′-チミジリル]チミジン
5′-O-[5′-O-(3′-チミジリル)-3′-チミジリル]チミジン
3′-O-(5′-チミジリル)-5′-O-(3′-チミジリル)チミジン
{[(2R,3S,5R)-2-({[ヒドロキシ({[(2R,3S,5R)-2-(ヒドロキシメチル)-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}({[(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,3S,5R)-2-({[hydroxy({[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy})phosphoryl]oxy}methyl)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)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 (3)：

3′-O-[3′-O-(5′-Thymidylyl)-5′-thymidylyl]thymidine
5′-O-[5′-O-(3′-Thymidylyl)-3′-thymidylyl]thymidine
3′-O-(5′-Thymidylyl)-5′-O-(3′-thymidylyl)thymidine

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