Chem
J-GLOBAL ID：200907097145748180   Nikkaji number：J2.293.772C

1-[3β-Methoxy-3aα-[(diisopropylamino)(2-cyanoethoxy)phosphinooxy]-7aβ-(4,4′-dimethoxytrityloxymethyl)hexahydro-2H-furo[2,3-c]pyran-2β-yl]thymine

1-[3β-メトキシ-3aα-[(ジイソプロピルアミノ)(2-シアノエトキシ)ホスフィノオキシ]-7aβ-(4,4′-ジメトキシトリチルオキシメチル)ヘキサヒドロ-2H-フロ[2,3-c]ピラン-2β-イル]チミン
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： C44H55N4O10P
Molecular formula furigana： C44-H55-N4-O10-P
Molecular weight： 830.916
InChI： InChI=1S/C44H55N4O10P/c1-30(2)48(31(3)4)59(56-25-12-24-45)58-43-23-26-54-28-42(43,57-40(38(43)53-8)47-27-32(5)39(49)46-41(47)50)29-55-44(33-13-10-9-11-14-33,34-15-19-36(51-6)20-16-34)35-17-21-37(52-7)22-18-35/h9-11,13-22,27,30-31,38,40H,12,23,25-26,28-29H2,1-8H3,(H,46,49,50)/t38-,40-,42-,43+,59?/m1/s1
InChI key： DRVMMVIJTHMYLM-KWALIHFMSA-N
SMILES： CO[C@@H]1[C@@H](O[C@@]2(COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)COCC[C@]12OP(OCCC#N)N(C(C)C)C(C)C)n1cc(C)c(=O)[nH]c1=O
Systematic name  (3)：
  • 1-[3β-メトキシ-3aα-[(ジイソプロピルアミノ)(2-シアノエトキシ)ホスフィノオキシ]-7aβ-(4,4′-ジメトキシトリチルオキシメチル)ヘキサヒドロ-2H-フロ[2,3-c]ピラン-2β-イル]チミン
  • 3-[({[(2R,3S,3aS,7aR)-7a-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-3-メトキシ-2-(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)-ヘキサヒドロ-2H-フロ[2,3-c]ピラン-3a-イル]オキシ}[ビス(プロパン-2-イル)アミノ]ホスファニル)オキシ]プロパンニトリル
  • 3-[({[(2R,3S,3aS,7aR)-7a-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-3-methoxy-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-hexahydro-2H-furo[2,3-c]pyran-3a-yl]oxy}[bis(propan-2-yl)amino]phosphanyl)oxy]propanenitrile
Other name (1)：
  • 1-[3β-Methoxy-3aα-[(diisopropylamino)(2-cyanoethoxy)phosphinooxy]-7aβ-(4,4′-dimethoxytrityloxymethyl)hexahydro-2H-furo[2,3-c]pyran-2β-yl]thymine
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