Chem
J-GLOBAL ID：200907037607435503   Nikkaji number：J819.644C

3′-O-[3′-O-[3′-O-[3′-O-[3′-O-[3′-O-[3′-O-(5′-Thymidylyl)-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylyl]-5′-amino-5′-deoxythymidine

3′-O-[3′-O-[3′-O-[3′-O-[3′-O-[3′-O-[3′-O-(5′-チミジリル)-5′-チミジリル]-5′-チミジリル]-5′-チミジリル]-5′-チミジリル]-5′-チミジリル]-5′-チミジリル]-5′-アミノ-5′-デオキシチミジン
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： C80H106N17O53P7
Molecular formula furigana： C80-H106-N17-O53-P7
Molecular weight： 2370.610
InChI： InChI=1S/C80H106N17O53P7/c1-33-18-90(73(107)82-65(33)99)57-9-41(98)50(137-57)26-129-151(115,116)145-43-11-59(92-20-35(3)67(101)84-75(92)109)139-52(43)28-131-153(119,120)147-45-13-61(94-22-37(5)69(103)86-77(94)111)141-54(45)30-133-155(123,124)149-47-15-63(96-24-39(7)71(105)88-79(96)113)143-56(47)32-135-157(127,128)150-48-16-64(97-25-40(8)72(106)89-80(97)114)142-55(48)31-134-156(125,126)148-46-14-62(95-23-38(6)70(104)87-78(95)112)140-53(46)29-132-154(121,122)146-44-12-60(93-21-36(4)68(102)85-76(93)110)138-51(44)27-130-152(117,118)144-42-10-58(136-49(42)17-81)91-19-34(2)66(100)83-74(91)108/h18-25,41-64,98H,9-17,26-32,81H2,1-8H3,(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,82,99,107)(H,83,100,108)(H,84,101,109)(H,85,102,110)(H,86,103,111)(H,87,104,112)(H,88,105,113)(H,89,106,114)/t41-,42-,43-,44-,45-,46-,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+/m0/s1
InChI key： NOEUDUHIHPCWOQ-KRUJRXCESA-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]3COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3CN)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O
Systematic name  (3)：
  • 3′-O-[3′-O-[3′-O-[3′-O-[3′-O-[3′-O-[3′-O-(5′-チミジリル)-5′-チミジリル]-5′-チミジリル]-5′-チミジリル]-5′-チミジリル]-5′-チミジリル]-5′-チミジリル]-5′-アミノ-5′-デオキシチミジン
  • {[(2R,3S,5R)-2-{[({[(2R,3S,5R)-2-{[({[(2R,3S,5R)-2-{[({[(2R,3S,5R)-2-{[({[(2R,3S,5R)-2-{[({[(2R,3S,5R)-2-{[({[(2R,3S,5R)-2-(アミノメチル)-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}(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}(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}(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}(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}(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}(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}({[(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-{[({[(2R,3S,5R)-2-{[({[(2R,3S,5R)-2-{[({[(2R,3S,5R)-2-{[({[(2R,3S,5R)-2-{[({[(2R,3S,5R)-2-{[({[(2R,3S,5R)-2-(aminomethyl)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)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}(hydroxy)phosphoryl)oxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)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}(hydroxy)phosphoryl)oxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)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}(hydroxy)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 (1)：
  • 3′-O-[3′-O-[3′-O-[3′-O-[3′-O-[3′-O-[3′-O-(5′-Thymidylyl)-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylyl]-5′-amino-5′-deoxythymidine
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