Chem
J-GLOBAL ID:200907050813362705   Nikkaji number:J1.017.498H

N-Acetyl-3′-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxy(2′α,3′,5′-2H3)cytidine

N-アセチル-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]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシ(2′α,3′,5′-2H3)シチジン
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: C41H47[2H]3N5O8P
Molecular formula furigana: C41-H50-N5-O8-P
Molecular weight: 774.870
InChI: InChI=1S/C41H50N5O8P/c1-28(2)46(29(3)4)55(52-25-11-23-42)54-36-26-39(45-24-22-38(43-30(5)47)44-40(45)48)53-37(36)27-51-41(31-12-9-8-10-13-31,32-14-18-34(49-6)19-15-32)33-16-20-35(50-7)21-17-33/h8-10,12-22,24,28-29,36-37,39H,11,25-27H2,1-7H3,(H,43,44,47,48)/t36-,37+,39+,55?/m0/s1/i26D,27D,36D/t26-,27?,36+,37-,39-,55?/m1
InChI key: MECWEBCHRKVTNV-CLPOKPDXSA-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)n1ccc(NC(=O)C)nc1=O
Systematic name  (3):
  • N-アセチル-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]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシ(2′α,3′,5′-2H3)シチジン
  • N-{1-[(2R,3R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ](2H1)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)(3,4-2H2)オキソラン-2-イル]-2-オキソ-1,2-ジヒドロピリミジン-4-イル}アセトアミド
  • N-{1-[(2R,3R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy](2H1)methyl}-4-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)(3,4-2H2)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}acetamide
Other name (1):
  • N-Acetyl-3′-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxy(2′α,3′,5′-2H3)cytidine
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