Chem
J-GLOBAL ID：200907058949296170   Nikkaji number：J1.925.156J

3′-O-[(Diisopropylamino)(2-cyanoethoxy)phosphinyl]-5′-O-(4,4′-dimethoxytrityl)thymidine

3′-O-[(ジイソプロピルアミノ)(2-シアノエトキシ)ホスフィニル]-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： C40H49N4O9P
Molecular formula furigana： C40-H49-N4-O9-P
Molecular weight： 760.825
InChI： InChI=1S/C40H49N4O9P/c1-27(2)44(28(3)4)54(47,51-23-11-22-41)53-35-24-37(43-25-29(5)38(45)42-39(43)46)52-36(35)26-50-40(30-12-9-8-10-13-30,31-14-18-33(48-6)19-15-31)32-16-20-34(49-7)21-17-32/h8-10,12-21,25,27-28,35-37H,11,23-24,26H2,1-7H3,(H,42,45,46)/t35-,36+,37+,54?/m0/s1
InChI key： VJOCUXODPFONTB-JYQXRUAGSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(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-[(ジイソプロピルアミノ)(2-シアノエトキシ)ホスフィニル]-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)オキソラン-3-イル]オキシ}[ビス(プロパン-2-イル)アミノ]ホスホリル)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)oxolan-3-yl]oxy}[bis(propan-2-yl)amino]phosphoryl)oxy]propanenitrile
Other name (1)：
  • 3′-O-[(Diisopropylamino)(2-cyanoethoxy)phosphinyl]-5′-O-(4,4′-dimethoxytrityl)thymidine
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