Chem
J-GLOBAL ID：200907009608955825   Nikkaji number：J1.969.613H

1-[(2R,4S,5S)-4-[(Diethoxythiophophinyl)difluoromethyl]-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]thymine

1-[(2R,4S,5S)-4-[(ジエトキシチオホスフィニル)ジフルオロメチル]-5-(ベンゾイルオキシメチル)テトラヒドロフラン-2-イル]チミン
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： C22H27F2N2O7PS
Molecular formula furigana： C22-H27-F2-N2-O7-P-S
Molecular weight： 532.500
InChI： InChI=1S/C22H27F2N2O7PS/c1-4-31-34(35,32-5-2)22(23,24)16-11-18(26-12-14(3)19(27)25-21(26)29)33-17(16)13-30-20(28)15-9-7-6-8-10-15/h6-10,12,16-18H,4-5,11,13H2,1-3H3,(H,25,27,29)/t16-,17+,18+/m0/s1
InChI key： IKCRUXMDUYJVBN-RCCFBDPRSA-N
SMILES： CCOP(=S)(OCC)C(F)(F)[C@H]1C[C@@H](O[C@@H]1COC(=O)c1ccccc1)n1cc(C)c(=O)[nH]c1=O
Systematic name  (3)：
  • 1-[(2R,4S,5S)-4-[(ジエトキシチオホスフィニル)ジフルオロメチル]-5-(ベンゾイルオキシメチル)テトラヒドロフラン-2-イル]チミン
  • [(2S,3S,5R)-3-{[ジエトキシ(スルファニリデン)-λ5-ホスファニル]ジフルオロメチル}-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-2-イル]メチル ベンゾアート
  • [(2S,3S,5R)-3-{[diethoxy(sulfanylidene)-λ5-phosphanyl]difluoromethyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl benzoate
Other name (1)：
  • 1-[(2R,4S,5S)-4-[(Diethoxythiophophinyl)difluoromethyl]-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]thymine
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