Chem
J-GLOBAL ID：200907049075958691   Nikkaji number：J956.370I

3′-O-[(Diisopropylamino)(2-cyanoethoxy)phosphino]-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′-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： C40H48N5O8P
Molecular formula furigana： C40-H48-N5-O8-P
Molecular weight： 757.825
InChI： InChI=1S/C40H48N5O8P/c1-27(2)45(28(3)4)54(51-24-10-22-41)53-36-35-37(44-23-21-34(42)43-38(44)46)52-39(36,25-49-35)26-50-40(29-11-8-7-9-12-29,30-13-17-32(47-5)18-14-30)31-15-19-33(48-6)20-16-31/h7-9,11-21,23,27-28,35-37H,10,24-26H2,1-6H3,(H2,42,43,46)/t35-,36+,37-,39-,54?/m1/s1
InChI key： JTEKVGGAFPQRPI-PUIMFIDCSA-N
SMILES： COc1ccc(cc1)C(OC[C@@]12CO[C@@H]([C@@H](O1)n1ccc(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′-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-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-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′-O-(4,4′-dimethoxytrityl)-2′,4′-(epoxymethano)-2′-deoxycytidine
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