Chem
J-GLOBAL ID：200907092803360148   Nikkaji number：J819.640K

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

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′-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： C60H80N13O39P5
Molecular formula furigana： C60-H80-N13-O39-P5
Molecular weight： 1762.221
InChI： InChI=1S/C60H80N13O39P5/c1-25-14-68(55(81)62-49(25)75)43-7-31(74)38(103-43)20-97-113(87,88)109-33-9-45(70-16-27(3)51(77)64-57(70)83)105-40(33)22-99-115(91,92)111-35-11-47(72-18-29(5)53(79)66-59(72)85)107-42(35)24-101-117(95,96)112-36-12-48(73-19-30(6)54(80)67-60(73)86)106-41(36)23-100-116(93,94)110-34-10-46(71-17-28(4)52(78)65-58(71)84)104-39(34)21-98-114(89,90)108-32-8-44(102-37(32)13-61)69-15-26(2)50(76)63-56(69)82/h14-19,31-48,74H,7-13,20-24,61H2,1-6H3,(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,62,75,81)(H,63,76,82)(H,64,77,83)(H,65,78,84)(H,66,79,85)(H,67,80,86)/t31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+/m0/s1
InChI key： NGCRKNLMXZTWGT-HYZXJONISA-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]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)O2)c(=O)[nH]c1=O
Systematic name  (4)：
  • 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′-アミノ-5′-デオキシチミジン
  • 5′-O-[5′-O-[5′-O-[5′-O-[5′-O-(5′-アミノ-5′-デオキシ-3′-チミジリル)-3′-チミジリル]-3′-チミジリル]-3′-チミジリル]-3′-チミジリル]チミジン
  • {[(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}({[(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-(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}({[(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 (2)：
  • 3′-O-[3′-O-[3′-O-[3′-O-[3′-O-(5′-Thymidylyl)-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylyl]-5′-amino-5′-deoxythymidine
  • 5′-O-[5′-O-[5′-O-[5′-O-[5′-O-(5′-Amino-5′-deoxy-3′-thymidylyl)-3′-thymidylyl]-3′-thymidylyl]-3′-thymidylyl]-3′-thymidylyl]thymidine
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