Chem
J-GLOBAL ID：200907086764394072   Nikkaji number：J2.768.783K

4′-Ethynyl-4′-O,4′-O-difluoro-5′-O-(tert-butyldiphenylsilyl)-4′-O-carba-2′,3′-didehydro-3′-deoxythymidine

4′-エチニル-4′-O,4′-O-ジフルオロ-5′-O-(tert-ブチルジフェニルシリル)-4′-O-カルバ-2′,3′-ジデヒドロ-3′-デオキシチミジン
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： C29H30F2N2O3Si
Molecular formula furigana： C29-H30-F2-N2-O3-SI
Molecular weight： 520.652
InChI： InChI=1S/C29H30F2N2O3Si/c1-6-28(18-17-24(29(28,30)31)33-19-21(2)25(34)32-26(33)35)20-36-37(27(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h1,7-19,24H,20H2,2-5H3,(H,32,34,35)/t24-,28-/m0/s1
InChI key： ABQGKHPLKAUUPL-CUBQBAPOSA-N
SMILES： Cc1cn([C@H]2C=C[C@](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)(C#C)C2(F)F)c(=O)[nH]c1=O
Systematic name  (3)：
  • 4′-エチニル-4′-O,4′-O-ジフルオロ-5′-O-(tert-ブチルジフェニルシリル)-4′-O-カルバ-2′,3′-ジデヒドロ-3′-デオキシチミジン
  • 1-[(1S,4R)-4-{[(tert-ブチルジフェニルシリル)オキシ]メチル}-4-エチニル-5,5-ジフルオロシクロペンタ-2-エン-1-イル]-5-メチル-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 1-[(1S,4R)-4-{[(tert-butyldiphenylsilyl)oxy]methyl}-4-ethynyl-5,5-difluorocyclopent-2-en-1-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 4′-Ethynyl-4′-O,4′-O-difluoro-5′-O-(tert-butyldiphenylsilyl)-4′-O-carba-2′,3′-didehydro-3′-deoxythymidine
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