Chem
J-GLOBAL ID：200907005501336329   Nikkaji number：J956.374A

3′-O-[(Diisopropylamino)(2-cyanoethoxy)phosphino]-5′-O-(4,4′-dimethoxytrityl)-2′,4′-(epoxymethano)-2′-deoxyadenosine

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′,4′-(エポキシメタノ)-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： C41H48N7O7P
Molecular formula furigana： C41-H48-N7-O7-P
Molecular weight： 781.851
InChI： InChI=1S/C41H48N7O7P/c1-27(2)48(28(3)4)56(53-22-10-21-42)55-36-35-39(47-26-46-34-37(43)44-25-45-38(34)47)54-40(36,23-51-35)24-52-41(29-11-8-7-9-12-29,30-13-17-32(49-5)18-14-30)31-15-19-33(50-6)20-16-31/h7-9,11-20,25-28,35-36,39H,10,22-24H2,1-6H3,(H2,43,44,45)/t35-,36+,39-,40-,56?/m1/s1
InChI key： MKVATMWPHITENP-NKXPIFMZSA-N
SMILES： COc1ccc(cc1)C(OC[C@@]12CO[C@@H]([C@@H](O1)n1cnc3c(N)ncnc13)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 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′,4′-(エポキシメタノ)-2′-デオキシアデノシン
  • 3-[({[(1R,3R,4R,7S)-3-(6-アミノ-9H-プリン-9-イル)-1-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-2,5-ジオキサビシクロ[2.2.1]ヘプタン-7-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-[({[(1R,3R,4R,7S)-3-(6-amino-9H-purin-9-yl)-1-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy}[bis(propan-2-yl)amino]phosphanyl)oxy]propanenitrile
Other name (1)：
  • 3′-O-[(Diisopropylamino)(2-cyanoethoxy)phosphino]-5′-O-(4,4′-dimethoxytrityl)-2′,4′-(epoxymethano)-2′-deoxyadenosine
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