Chem
J-GLOBAL ID：200907001119512502   Nikkaji number：J1.178.083K

2′β-Ethynyl-3′-O-[diisopropylamino(2-cyanoethoxy)phosphino]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyadenosine

2′β-エチニル-3′-O-[ジイソプロピルアミノ(2-シアノエトキシ)ホスフィノ]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシアデノシン
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： C42H48N7O6P
Molecular formula furigana： C42-H48-N7-O6-P
Molecular weight： 777.863
InChI： InChI=1S/C42H48N7O6P/c1-8-35-38(55-56(53-24-12-23-43)49(28(2)3)29(4)5)36(54-41(35)48-27-47-37-39(44)45-26-46-40(37)48)25-52-42(30-13-10-9-11-14-30,31-15-19-33(50-6)20-16-31)32-17-21-34(51-7)22-18-32/h1,9-11,13-22,26-29,35-36,38,41H,12,24-25H2,2-7H3,(H2,44,45,46)/t35-,36+,38-,41+,56?/m0/s1
InChI key： KMZYCECCLBJQDF-LXNCCWKHSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H]([C@@H](C#C)[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)n1cnc2c(N)ncnc12)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 2′β-エチニル-3′-O-[ジイソプロピルアミノ(2-シアノエトキシ)ホスフィノ]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシアデノシン
  • 3-[({[(2R,3S,4S,5R)-5-(6-アミノ-9H-プリン-9-イル)-2-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-エチニルオキソラン-3-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,4S,5R)-5-(6-amino-9H-purin-9-yl)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-ethynyloxolan-3-yl]oxy}[bis(propan-2-yl)amino]phosphanyl)oxy]propanenitrile
Other name (1)：
  • 2′β-Ethynyl-3′-O-[diisopropylamino(2-cyanoethoxy)phosphino]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyadenosine
Thsaurus map：
Thesaurus Map

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