Chem
J-GLOBAL ID:200907049768221420   Nikkaji number:J760.683D

3′-O-[Pyridinio(thiolato)phosphinothioyl]-5′-O-(4,4′-dimethoxytrityl)thymidine

3′-O-[ピリジニオ(チオラト)ホスフィノチオイル]-5′-O-(4,4′-ジメトキシトリチル)チミジン
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: C36H36N2[N+]O7PS[S-]
Molecular formula furigana: C36-H36-N3-O7-P-S2
Molecular weight: 717.790
InChI: InChI=1S/C36H36N3O7PS2/c1-25-23-39(35(41)37-34(25)40)33-22-31(46-47(48,49)38-20-8-5-9-21-38)32(45-33)24-44-36(26-10-6-4-7-11-26,27-12-16-29(42-2)17-13-27)28-14-18-30(43-3)19-15-28/h4-21,23,31-33H,22,24H2,1-3H3,(H-,37,40,41,48,49)/t31-,32+,33+/m0/s1
InChI key: KJTYUNFDHPXALH-WIHCDAFUSA-N
SMILES: COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(=S)([S-])[n+]1ccccc1)n1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (5):
  • [ピリジニウム-1-イルホスホノジチオ酸O-[5′-O-(4,4′-ジメトキシトリチル)-3′-チミジル]]アニオン
  • 3′-O-[ピリジニオ(チオラト)ホスフィノチオイル]-5′-O-(4,4′-ジメトキシトリチル)チミジン
  • 3′-O-[(チオキソ)(チオラト)(ピリジニオ)ホスホラニル]-5′-O-(4,4′-ジメトキシトリチル)チミジン
  • ({[(2R,3S,5R)-2-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-5-(5-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)オキソラン-3-イル]オキシ}(ピリジン-1-イウム-1-イル)スルファニリデン-λ5-ホスファニル)スルファニド
  • ({[(2R,3S,5R)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy}(pyridin-1-ium-1-yl)sulfanylidene-λ5-phosphanyl)sulfanide
Other name (3):
  • [Pyridinium-1-ylphosphonodithioic acid O-[5′-O-(4,4′-dimethoxytrityl)-3′-thymidyl]]anion
  • 3′-O-[Pyridinio(thiolato)phosphinothioyl]-5′-O-(4,4′-dimethoxytrityl)thymidine
  • 3′-O-[(Thioxo)(thiolato)(pyridinio)phosphoranyl]-5′-O-(4,4′-dimethoxytrityl)thymidine
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