Chem
J-GLOBAL ID：200907081774655450   Nikkaji number：J956.376H

3′-O-[(Diisopropylamino)(2-cyanoethoxy)phosphino]-5-methyl-5′-O-(4,4′-dimethoxytrityl)-2′,4′-(epoxymethano)-2′-deoxycytidine

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-メチル-5′-O-(4,4′-ジメトキシトリチル)-2′,4′-(エポキシメタノ)-2′-デオキシシチジン
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： C41H50N5O8P
Molecular formula furigana： C41-H50-N5-O8-P
Molecular weight： 771.852
InChI： InChI=1S/C41H50N5O8P/c1-27(2)46(28(3)4)55(52-23-11-22-42)54-36-35-38(45-24-29(5)37(43)44-39(45)47)53-40(36,25-50-35)26-51-41(30-12-9-8-10-13-30,31-14-18-33(48-6)19-15-31)32-16-20-34(49-7)21-17-32/h8-10,12-21,24,27-28,35-36,38H,11,23,25-26H2,1-7H3,(H2,43,44,47)/t35-,36+,38-,40-,55?/m1/s1
InChI key： UJUKPCINNDKWEN-ZRCIEBSPSA-N
SMILES： COc1ccc(cc1)C(OC[C@@]12CO[C@@H]([C@@H](O1)n1cc(C)c(N)nc1=O)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 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-メチル-5′-O-(4,4′-ジメトキシトリチル)-2′,4′-(エポキシメタノ)-2′-デオキシシチジン
  • 3-[({[(1R,3R,4R,7S)-3-(4-アミノ-5-メチル-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-1-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-2,5-ジオキサビシクロ[2.2.1]ヘプタン-7-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-[({[(1R,3R,4R,7S)-3-(4-amino-5-methyl-2-oxo-1,2-dihydropyrimidin-1-yl)-1-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy}[bis(propan-2-yl)amino]phosphanyl)oxy]propanenitrile
Other name (1)：
  • 3′-O-[(Diisopropylamino)(2-cyanoethoxy)phosphino]-5-methyl-5′-O-(4,4′-dimethoxytrityl)-2′,4′-(epoxymethano)-2′-deoxycytidine
Thsaurus map：
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