Chem
J-GLOBAL ID：200907032261678151   Nikkaji number：J2.078.754F

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

3,3′′-エチレンビス[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： C80H96Cl6N6O16P2
Molecular formula furigana： C80-H96-CL6-N6-O16-P2
Molecular weight： 1672.320
InChI： InChI=1S/C80H96Cl6N6O16P2/c1-51(2)91(52(3)4)109(103-49-77(81,82)83)107-67-43-71(105-69(67)47-101-79(57-21-17-15-18-22-57,59-25-33-63(97-11)34-26-59)60-27-35-64(98-12)36-28-60)89-45-55(9)73(93)87(75(89)95)41-42-88-74(94)56(10)46-90(76(88)96)72-44-68(108-110(104-50-78(84,85)86)92(53(5)6)54(7)8)70(106-72)48-102-80(58-23-19-16-20-24-58,61-29-37-65(99-13)38-30-61)62-31-39-66(100-14)40-32-62/h15-40,45-46,51-54,67-72H,41-44,47-50H2,1-14H3/t67-,68-,69+,70+,71+,72+,109?,110?/m0/s1
InChI key： LMBDORIDNNNIRO-CHLKLEMESA-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(CCn2c(=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′′-エチレンビス[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-(2-{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}エチル)-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-(2-{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}ethyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 3,3′′-Ethylenebis[3′-O-[2,2,2-trichloroethoxy(diisopropylamino)phosphino]-5′-O-(4,4′-dimethoxytrityl)thymidine]
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