Chem
J-GLOBAL ID：200907051102668000   Nikkaji number：J2.078.755D

3,3′′-Tetramethylenebis[3′-O-[2,2,2-trichloroethoxy(diisopropylamino)phosphino]-5′-O-(4,4′-dimethoxytrityl)thymidine]

3,3′′-テトラメチレンビス[3′-O-[2,2,2-トリクロロエトキシ(ジイソプロピルアミノ)ホスフィノ]-5′-O-(4,4′-ジメトキシトリチル)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： C82H100Cl6N6O16P2
Molecular formula furigana： C82-H100-CL6-N6-O16-P2
Molecular weight： 1700.380
InChI： InChI=1S/C82H100Cl6N6O16P2/c1-53(2)93(54(3)4)111(105-51-79(83,84)85)109-69-45-73(107-71(69)49-103-81(59-23-17-15-18-24-59,61-27-35-65(99-11)36-28-61)62-29-37-66(100-12)38-30-62)91-47-57(9)75(95)89(77(91)97)43-21-22-44-90-76(96)58(10)48-92(78(90)98)74-46-70(110-112(106-52-80(86,87)88)94(55(5)6)56(7)8)72(108-74)50-104-82(60-25-19-16-20-26-60,63-31-39-67(101-13)40-32-63)64-33-41-68(102-14)42-34-64/h15-20,23-42,47-48,53-56,69-74H,21-22,43-46,49-52H2,1-14H3/t69-,70-,71+,72+,73+,74+,111?,112?/m0/s1
InChI key： OQYMXSKGPQVIEL-LTBKLFIESA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCC(Cl)(Cl)Cl)N(C(C)C)C(C)C)n1cc(C)c(=O)n(CCCCn2c(=O)c(C)cn([C@H]3C[C@H](OP(OCC(Cl)(Cl)Cl)N(C(C)C)C(C)C)[C@@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)O3)c2=O)c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 3,3′′-テトラメチレンビス[3′-O-[2,2,2-トリクロロエトキシ(ジイソプロピルアミノ)ホスフィノ]-5′-O-(4,4′-ジメトキシトリチル)チミジン]
  • 1-[(2R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-({[ビス(プロパン-2-イル)アミノ](2,2,2-トリクロロエトキシ)ホスファニル}オキシ)オキソラン-2-イル]-3-(4-{3-[(2R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-({[ビス(プロパン-2-イル)アミノ](2,2,2-トリクロロエトキシ)ホスファニル}オキシ)オキソラン-2-イル]-5-メチル-2,6-ジオキソ-1,2,3,6-テトラヒドロピリミジン-1-イル}ブチル)-5-メチル-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 1-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-({[bis(propan-2-yl)amino](2,2,2-trichloroethoxy)phosphanyl}oxy)oxolan-2-yl]-3-(4-{3-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-({[bis(propan-2-yl)amino](2,2,2-trichloroethoxy)phosphanyl}oxy)oxolan-2-yl]-5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}butyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 3,3′′-Tetramethylenebis[3′-O-[2,2,2-trichloroethoxy(diisopropylamino)phosphino]-5′-O-(4,4′-dimethoxytrityl)thymidine]
Thsaurus map：
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