Chem
J-GLOBAL ID：200907041513549952   Nikkaji number：J2.346.666J

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

3′-O-[2-シアノエトキシ(ジイソプロピルアミノ)ホスフィノ]-4′-(2-ニトロベンジルオキシ)-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： C47H54N4[N+]O10[O-]P
Molecular formula furigana： C47-H54-N5-O11-P
Molecular weight： 895.947
InChI： InChI=1S/C47H54N5O11P/c1-32(2)51(33(3)4)64(61-27-13-26-48)63-42-28-43(50-29-34(5)44(53)49-45(50)54)62-46(42,59-30-35-14-11-12-17-41(35)52(55)56)31-60-47(36-15-9-8-10-16-36,37-18-22-39(57-6)23-19-37)38-20-24-40(58-7)25-21-38/h8-12,14-25,29,32-33,42-43H,13,27-28,30-31H2,1-7H3,(H,49,53,54)/t42-,43+,46+,64?/m0/s1
InChI key： VHRRKDURJQVJSP-FVXIAVKZSA-N
SMILES： COc1ccc(cc1)C(OC[C@@]1(OCc2ccccc2[N+](=O)[O-])O[C@H](C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)n1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 3′-O-[2-シアノエトキシ(ジイソプロピルアミノ)ホスフィノ]-4′-(2-ニトロベンジルオキシ)-5′-O-(4,4′-ジメトキシトリチル)チミジン
  • 3-[({[(2R,3S,5R)-2-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-5-(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)-2-[(2-ニトロフェニル)メトキシ]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,5R)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-[(2-nitrophenyl)methoxy]oxolan-3-yl]oxy}[bis(propan-2-yl)amino]phosphanyl)oxy]propanenitrile
Other name (1)：
  • 3′-O-[2-Cyanoethoxy(diisopropylamino)phosphino]-4′-(2-nitrobenzyloxy)-5′-O-(4,4′-dimethoxytrityl)thymidine
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