Chem
J-GLOBAL ID:200907077791365603   Nikkaji number:J1.507.153B

N,N-Diisopropylamide phosphorous acid 2-cyanoethyl[5′-O-benzoyl-6-[[(4,4′-dimethoxytrityl)oxy]methyl]-2′,3′-dideoxyuridine-3′-yl] ester

N,N-ジイソプロピルアミド亜りん酸2-シアノエチル[5′-O-ベンゾイル-6-[[(4,4′-ジメトキシトリチル)オキシ]メチル]-2′,3′-ジデオキシウリジン-3′-イル]
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: C47H53N4O10P
Molecular formula furigana: C47-H53-N4-O10-P
Molecular weight: 864.933
InChI: InChI=1S/C47H53N4O10P/c1-32(2)51(33(3)4)62(59-27-13-26-48)61-41-29-44(60-42(41)31-57-45(53)34-14-9-7-10-15-34)50-38(28-43(52)49-46(50)54)30-58-47(35-16-11-8-12-17-35,36-18-22-39(55-5)23-19-36)37-20-24-40(56-6)25-21-37/h7-12,14-25,28,32-33,41-42,44H,13,27,29-31H2,1-6H3,(H,49,52,54)/t41-,42+,44+,62?/m0/s1
InChI key: LCQMHVRWTCJVQX-MLPVHMOHSA-N
SMILES: COc1ccc(cc1)C(OCc1cc(=O)[nH]c(=O)n1[C@H]1C[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](COC(=O)c2ccccc2)O1)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3):
  • N,N-ジイソプロピルアミド亜りん酸2-シアノエチル[5′-O-ベンゾイル-6-[[(4,4′-ジメトキシトリチル)オキシ]メチル]-2′,3′-ジデオキシウリジン-3′-イル]
  • [(2R,3S,5R)-5-(6-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-3-({[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]メチル ベンゾアート
  • [(2R,3S,5R)-5-(6-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)oxolan-2-yl]methyl benzoate
Other name (1):
  • N,N-Diisopropylamide phosphorous acid 2-cyanoethyl[5′-O-benzoyl-6-[[(4,4′-dimethoxytrityl)oxy]methyl]-2′,3′-dideoxyuridine-3′-yl] ester
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