Chem
J-GLOBAL ID:200907051126014531   Nikkaji number:J1.744.632K

3′-O-[3′-O-[3′-O-[3′-O-[3′-O-[3′-O-(5′-Thymidylyl)-5′-thymidylyl]-5′-thymidylyl]-3-benzyl-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylic acid

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]-3-ベンジル-5′-チミジリル]-5′-チミジリル]-5′-チミジリル]-5′-チミジル酸
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: C77H99N14O50P7
Molecular formula furigana: C77-H99-N14-O50-P7
Molecular weight: 2237.503
InChI: InChI=1S/C77H99N14O50P7/c1-35-20-84(71(100)78-64(35)93)57-13-43(92)50(129-57)28-123-143(110,111)137-45-15-59(86-22-37(3)66(95)80-73(86)102)131-52(45)30-125-145(114,115)139-47-17-61(88-24-39(5)68(97)82-75(88)104)134-55(47)33-127-148(120,121)141-49-19-63(90-26-41(7)70(99)91(77(90)106)27-42-11-9-8-10-12-42)135-56(49)34-128-147(118,119)140-48-18-62(89-25-40(6)69(98)83-76(89)105)133-54(48)32-126-146(116,117)138-46-16-60(87-23-38(4)67(96)81-74(87)103)132-53(46)31-124-144(112,113)136-44-14-58(130-51(44)29-122-142(107,108)109)85-21-36(2)65(94)79-72(85)101/h8-12,20-26,43-63,92H,13-19,27-34H2,1-7H3,(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,78,93,100)(H,79,94,101)(H,80,95,102)(H,81,96,103)(H,82,97,104)(H,83,98,105)(H2,107,108,109)/t43-,44-,45-,46-,47-,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+/m0/s1
InChI key: IDGWUDXBTWGOER-OQFBLVKPSA-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)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)n(Cc4ccccc4)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-(5′-チミジリル)-5′-チミジリル]-5′-チミジリル]-3-ベンジル-5′-チミジリル]-5′-チミジリル]-5′-チミジリル]-5′-チミジル酸
  • {[(2R,3S,5R)-3-[({[(2R,3S,5R)-3-[({[(2R,3S,5R)-3-[({[(2R,3S,5R)-5-(3-ベンジル-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)-3-{[ヒドロキシ({[(2R,3S,5R)-3-{[ヒドロキシ({[(2R,3S,5R)-3-{[ヒドロキシ({[(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})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})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}(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}ホスホン酸
  • {[(2R,3S,5R)-3-[({[(2R,3S,5R)-3-[({[(2R,3S,5R)-3-[({[(2R,3S,5R)-5-(3-benzyl-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-{[hydroxy({[(2R,3S,5R)-3-{[hydroxy({[(2R,3S,5R)-3-{[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})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}(hydroxy)phosphoryl)oxy]-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid
Other name (1):
  • 3′-O-[3′-O-[3′-O-[3′-O-[3′-O-[3′-O-(5′-Thymidylyl)-5′-thymidylyl]-5′-thymidylyl]-3-benzyl-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylic acid
Thsaurus map:

Return to Previous Page