Chem
J-GLOBAL ID：200907003774133746   Nikkaji number：J587.392D

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

5′-O-(4,4′-ジメトキシトリチル)チミジン3′-(ジイソプロピルアミド亜りん酸2-シアノエチル)
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： C40H49N4O8P
Molecular formula furigana： C40-H49-N4-O8-P
Molecular weight： 744.826
InChI： InChI=1S/C40H49N4O8P/c1-27(2)44(28(3)4)53(50-23-11-22-41)52-35-24-37(43-25-29(5)38(45)42-39(43)46)51-36(35)26-49-40(30-12-9-8-10-13-30,31-14-18-33(47-6)19-15-31)32-16-20-34(48-7)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+,53?/m0/s1
InChI key： UNOTXUFIWPRZJX-CEXSRUIHSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[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  (16)：
  • 3-[[5′-O-(4,4′-ジメトキシトリチル)-3′-チミジルオキシ](ジイソプロピルアミノ)ホスフィノオキシ]プロピオノニトリル
  • 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)チミジン
  • 5′-O-[ビス(4-メトキシフェニル)フェニルメチル]-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]チミジン
  • N,N-ジイソプロピルアミド亜りん酸(2-シアノエチル)[5′-O-(4,4′-ジメトキシトリチル)-3′-チミジル]
  • 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)チミジン
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Other name (12)：
  • 5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-3′-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]thymidine
  • N,N-Diisopropylamide phosphorous acid (2-cyanoethyl)[5′-O-(4,4′-dimethoxytrityl)-3′-thymidyl] ester
  • 3′-O-[Diisopropylamino(2-cyanoethoxy)phosphino]-5′-O-(4,4′-dimethoxytrityl)thymidine
  • 5′-O-(4,4′-Dimethoxytrityl)thymidine 3′-(diisopropylamide phosphorous acid 2-cyanoethyl) ester
  • 3′-O-[(2-Cyanoethoxy)(diisopropylamino)phosphino]-5′-O-(4,4′-dimethoxytrityl)thymidine
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