Chem
J-GLOBAL ID：200907063506796816   Nikkaji number：J1.933.565H

5′-O-[5′-O-[5′-O-[5′-O-[5′-O-(3′-Thymidylyl)-3′-thymidylyl]-3′-thymidylyl]-2′-deoxy-3′-guanylyl]-2′-deoxy-3′-guanylyl]-2′-deoxyguanosine

5′-O-[5′-O-[5′-O-[5′-O-[5′-O-(3′-チミジリル)-3′-チミジリル]-3′-チミジリル]-2′-デオキシ-3′-グアニリル]-2′-デオキシ-3′-グアニリル]-2′-デオキシグアノシン
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： C60H76N21O37P5
Molecular formula furigana： C60-H76-N21-O37-P5
Molecular weight： 1838.247
InChI： InChI=1S/C60H76N21O37P5/c1-22-10-76(58(90)73-49(22)84)38-5-26(31(13-82)108-38)114-120(95,96)104-15-33-27(6-39(110-33)77-11-23(2)50(85)74-59(77)91)115-121(97,98)105-16-34-28(7-40(111-34)78-12-24(3)51(86)75-60(78)92)116-122(99,100)106-18-36-30(9-42(113-36)81-21-66-45-48(81)69-57(63)72-54(45)89)118-123(101,102)107-17-35-29(8-41(112-35)80-20-65-44-47(80)68-56(62)71-53(44)88)117-119(93,94)103-14-32-25(83)4-37(109-32)79-19-64-43-46(79)67-55(61)70-52(43)87/h10-12,19-21,25-42,82-83H,4-9,13-18H2,1-3H3,(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,73,84,90)(H,74,85,91)(H,75,86,92)(H3,61,67,70,87)(H3,62,68,71,88)(H3,63,69,72,89)/t25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+/m0/s1
InChI key： RTYVJTVZRZNDMO-IQUZVVQMSA-N
SMILES： Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@H](C[C@@H]3OP(=O)(O)OC[C@H]3O[C@H](C[C@@H]3OP(=O)(O)OC[C@H]3O[C@H](C[C@@H]3OP(=O)(O)OC[C@H]3O[C@H](C[C@@H]3OP(=O)(O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c3nc(N)[nH]c4=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)[C@@H](CO)O2)c(=O)[nH]c1=O
Systematic name  (3)：
  • 5′-O-[5′-O-[5′-O-[5′-O-[5′-O-(3′-チミジリル)-3′-チミジリル]-3′-チミジリル]-2′-デオキシ-3′-グアニリル]-2′-デオキシ-3′-グアニリル]-2′-デオキシグアノシン
  • {[(2R,3S,5R)-3-[({[(2R,3S,5R)-3-[({[(2R,3S,5R)-5-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)-3-[({[(2R,3S,5R)-5-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)-3-[({[(2R,3S,5R)-5-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)-3-ヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ]オキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ]オキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ]-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}(ヒドロキシ)ホスホリル)オキシ]-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}({[(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})ホスフィン酸
  • {[(2R,3S,5R)-3-[({[(2R,3S,5R)-3-[({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}({[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy})phosphinic acid
Other name (1)：
  • 5′-O-[5′-O-[5′-O-[5′-O-[5′-O-(3′-Thymidylyl)-3′-thymidylyl]-3′-thymidylyl]-2′-deoxy-3′-guanylyl]-2′-deoxy-3′-guanylyl]-2′-deoxyguanosine
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