Chem
J-GLOBAL ID：200907051057029602   Nikkaji number：J1.067.767J

3′-O-[(Diisopropylamino)(2-cyanoethoxy)phosphino]-5-[6-oxo-6-(2-nitro-4,5-dimethoxybenzyloxy)-1-hexynyl]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyuridine

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-[6-オキソ-6-(2-ニトロ-4,5-ジメトキシベンジルオキシ)-1-ヘキシニル]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシウリジン
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： C54H62N4[N+]O13[O-]P
Molecular formula furigana： C54-H62-N5-O14-P
Molecular weight： 1036.085
InChI： InChI=1S/C54H62N5O14P/c1-36(2)58(37(3)4)74(71-29-15-28-55)73-48-32-50(72-49(48)35-70-54(40-17-12-10-13-18-40,41-20-24-43(65-5)25-21-41)42-22-26-44(66-6)27-23-42)57-33-38(52(61)56-53(57)62)16-11-9-14-19-51(60)69-34-39-30-46(67-7)47(68-8)31-45(39)59(63)64/h10,12-13,17-18,20-27,30-31,33,36-37,48-50H,9,14-15,19,29,32,34-35H2,1-8H3,(H,56,61,62)/t48-,49+,50+,74?/m0/s1
InChI key： CJZPAQSUCBXUBY-BCQFLDHASA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)n1cc(C#CCCCC(=O)OCc2cc(OC)c(OC)cc2[N+](=O)[O-])c(=O)[nH]c1=O)(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-[6-オキソ-6-(2-ニトロ-4,5-ジメトキシベンジルオキシ)-1-ヘキシニル]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシウリジン
  • (4,5-ジメトキシ-2-ニトロフェニル)メチル 6-{1-[(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]-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-5-イル}ヘキサ-5-イノアート
  • (4,5-dimethoxy-2-nitrophenyl)methyl 6-{1-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)oxolan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}hex-5-ynoate
Other name (1)：
  • 3′-O-[(Diisopropylamino)(2-cyanoethoxy)phosphino]-5-[6-oxo-6-(2-nitro-4,5-dimethoxybenzyloxy)-1-hexynyl]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyuridine
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