Chem
J-GLOBAL ID:200907092564672698   Nikkaji number:J2.625.176A

9-[3-O-[Diisopropylamino(2-cyanoethoxy)phosphino]-5-O-(4,4′-dimethoxytrityl)-2-deoxy-β-D-erythro-pentofuranosyl]-9H-carbazole-3-acrylonitrile

9-[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-デオキシ-β-D-erythro-ペントフラノシル]-9H-カルバゾール-3-アクリロニトリル
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: C50H53N4O6P
Molecular formula furigana: C50-H53-N4-O6-P
Molecular weight: 836.970
InChI: InChI=1S/C50H53N4O6P/c1-35(2)54(36(3)4)61(58-31-13-30-52)60-47-33-49(53-45-18-11-10-17-43(45)44-32-37(14-12-29-51)19-28-46(44)53)59-48(47)34-57-50(38-15-8-7-9-16-38,39-20-24-41(55-5)25-21-39)40-22-26-42(56-6)27-23-40/h7-12,14-28,32,35-36,47-49H,13,31,33-34H2,1-6H3/t47-,48+,49+,61?/m0/s1
InChI key: RUTFQKFGWRKKCI-BKTHNOCJSA-N
SMILES: COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)n1c2ccccc2c2cc(C=CC#N)ccc12)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3):
  • 9-[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-デオキシ-β-D-erythro-ペントフラノシル]-9H-カルバゾール-3-アクリロニトリル
  • 3-{9-[(2R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-({[ビス(プロパン-2-イル)アミノ](2-シアノエトキシ)ホスファニル}オキシ)オキソラン-2-イル]-9H-カルバゾール-3-イル}プロパ-2-エンニトリル
  • 3-{9-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)oxolan-2-yl]-9H-carbazol-3-yl}prop-2-enenitrile
Other name (1):
  • 9-[3-O-[Diisopropylamino(2-cyanoethoxy)phosphino]-5-O-(4,4′-dimethoxytrityl)-2-deoxy-β-D-erythro-pentofuranosyl]-9H-carbazole-3-acrylonitrile
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