Chem
J-GLOBAL ID:200907027096519996   Nikkaji number:J1.017.491K

3′-O-[(2-Cyanoethoxy)(diisopropylamino)phosphino]-5′-O-(4,4′-dimethoxytrityl)(2′β,3′,5′-2H3)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]-5′-O-(4,4′-ジメトキシトリチル)(2′β,3′,5′-2H3)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: C40H46[2H]3N4O8P
Molecular formula furigana: C40-H49-N4-O8-P
Molecular weight: 747.844
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/i24D,26D,35D/t24-,26?,35-,36+,37+,53?
InChI key: UNOTXUFIWPRZJX-RNILRHGTSA-N
SMILES: C([2H])(OC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)[C@H]1O[C@H](C([2H])[C@]1([2H])OP(OCCC#N)N(C(C)C)C(C)C)n1cc(C)c(=O)[nH]c1=O
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]-5′-O-(4,4′-ジメトキシトリチル)(2′β,3′,5′-2H3)チミジン
  • 3-[({[(2R,3S,4S,5R)-2-{[ビス(4-メトキシフェニル)(フェニル)メトキシ](2H1)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)(3,4-2H2)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)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy](2H1)methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)(3,4-2H2)oxolan-3-yl]oxy}[bis(propan-2-yl)amino]phosphanyl)oxy]propanenitrile
Other name (1):
  • 3′-O-[(2-Cyanoethoxy)(diisopropylamino)phosphino]-5′-O-(4,4′-dimethoxytrityl)(2′β,3′,5′-2H3)thymidine
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