Chem
J-GLOBAL ID:200907044743480764   Nikkaji number:J2.089.191B

N-Benzoyl-9-[2-O-(tert-butyldimethylsilyl)-3-O-[diisopropylamino(methoxy)phosphino]-5-O-(4,4′-dimethoxytrityl)-4-thio-β-D-ribo-pentofuranosyl]-9H-purine-6-amine

N-ベンゾイル-9-[2-O-(tert-ブチルジメチルシリル)-3-O-[ジイソプロピルアミノ(メトキシ)ホスフィノ]-5-O-(4,4′-ジメトキシトリチル)-4-チオ-β-D-ribo-ペントフラノシル]-9H-プリン-6-アミン
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: C51H65N6O7PSSi
Molecular formula furigana: C51-H65-N6-O7-P-S-SI
Molecular weight: 965.230
InChI: InChI=1S/C51H65N6O7PSSi/c1-34(2)57(35(3)4)65(61-10)63-44-42(31-62-51(37-21-17-14-18-22-37,38-23-27-40(59-8)28-24-38)39-25-29-41(60-9)30-26-39)66-49(45(44)64-67(11,12)50(5,6)7)56-33-54-43-46(52-32-53-47(43)56)55-48(58)36-19-15-13-16-20-36/h13-30,32-35,42,44-45,49H,31H2,1-12H3,(H,52,53,55,58)/t42-,44-,45-,49-,65?/m1/s1
InChI key: DXXNHOWBMJVHLQ-RXTMIPHPSA-N
SMILES: COP(O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)S[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)n1cnc2c(NC(=O)c3ccccc3)ncnc12)N(C(C)C)C(C)C
Systematic name  (3):
  • N-ベンゾイル-9-[2-O-(tert-ブチルジメチルシリル)-3-O-[ジイソプロピルアミノ(メトキシ)ホスフィノ]-5-O-(4,4′-ジメトキシトリチル)-4-チオ-β-D-ribo-ペントフラノシル]-9H-プリン-6-アミン
  • N-{9-[(2R,3R,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](メトキシ)ホスファニル}オキシ)-3-[(tert-ブチルジメチルシリル)オキシ]チオラン-2-イル]-9H-プリン-6-イル}ベンズアミド
  • N-{9-[(2R,3R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-({[bis(propan-2-yl)amino](methoxy)phosphanyl}oxy)-3-[(tert-butyldimethylsilyl)oxy]thiolan-2-yl]-9H-purin-6-yl}benzamide
Other name (1):
  • N-Benzoyl-9-[2-O-(tert-butyldimethylsilyl)-3-O-[diisopropylamino(methoxy)phosphino]-5-O-(4,4′-dimethoxytrityl)-4-thio-β-D-ribo-pentofuranosyl]-9H-purine-6-amine
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