Chem
J-GLOBAL ID：200907011087541519   Nikkaji number：J819.642G

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

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′-O-[[(5-アミノペンチル)オキシ]オキシラトホスフィニル]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： C65H90N13O42[O-]P6
Molecular formula furigana： C65-H90-N13-O43-P6
Molecular weight： 1927.326
InChI： InChI=1S/C65H91N13O43P6/c1-30-18-73(60(86)67-54(30)80)48-12-36(79)42(111-48)24-106-123(94,95)117-38-14-50(75-20-32(3)56(82)69-62(75)88)113-44(38)26-108-125(98,99)119-40-16-52(77-22-34(5)58(84)71-64(77)90)115-46(40)28-110-127(102,103)121-41-17-53(78-23-35(6)59(85)72-65(78)91)116-47(41)29-109-126(100,101)120-39-15-51(76-21-33(4)57(83)70-63(76)89)114-45(39)27-107-124(96,97)118-37-13-49(74-19-31(2)55(81)68-61(74)87)112-43(37)25-105-122(92,93)104-11-9-7-8-10-66/h18-23,36-53,79H,7-17,24-29,66H2,1-6H3,(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,67,80,86)(H,68,81,87)(H,69,82,88)(H,70,83,89)(H,71,84,90)(H,72,85,91)/p-1/t36-,37-,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+/m0/s1
InChI key： NAJYCOPZVJAONF-BEVRNQNVSA-M
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-])OCCCCCN)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-(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′-O-[[(5-アミノペンチル)オキシ]オキシラトホスフィニル]チミジン
  • 5-アミノペンチル [(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({[(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}-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]メチル ホスファート
  • 5-aminopentyl [(2R,3S,5R)-3-{[hydroxy({[(2R,3S,5R)-3-{[hydroxy({[(2R,3S,5R)-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}-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]methyl phosphate
Other name (1)：
  • 3′-O-[3′-O-[3′-O-[3′-O-[3′-O-(5′-Thymidylyl)-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylyl]-5′-thymidylyl]-5′-O-[[(5-aminopentyl)oxy]oxylatophosphinyl]thymidine
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM