Chem
J-GLOBAL ID：200907075839876564   Nikkaji number：J2.146.008G

(S)-1,1-Difluoro-3-[6-(methylamino)-9H-purine-9-ylmethyl]-4-(diethoxyphosphinyloxy)butylphosphonic acid diethyl ester

(S)-1,1-ジフルオロ-3-[6-(メチルアミノ)-9H-プリン-9-イルメチル]-4-(ジエトキシホスフィニルオキシ)ブチルホスホン酸ジエチル
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： C19H33F2N5O7P2
Molecular formula furigana： C19-H33-F2-N5-O7-P2
Molecular weight： 543.445
InChI： InChI=1S/C19H33F2N5O7P2/c1-6-29-34(27,30-7-2)19(20,21)10-15(12-33-35(28,31-8-3)32-9-4)11-26-14-25-16-17(22-5)23-13-24-18(16)26/h13-15H,6-12H2,1-5H3,(H,22,23,24)/t15-/m0/s1
InChI key： YCTQJEABLSILKS-HNNXBMFYSA-N
SMILES： CCOP(=O)(OCC)OC[C@H](Cn1cnc2c(NC)ncnc12)CC(F)(F)P(=O)(OCC)OCC
Systematic name  (3)：
  • (S)-1,1-ジフルオロ-3-[6-(メチルアミノ)-9H-プリン-9-イルメチル]-4-(ジエトキシホスフィニルオキシ)ブチルホスホン酸ジエチル
  • ジエチル [(3S)-4-[(ジエトキシホスホリル)オキシ]-1,1-ジフルオロ-3-{[6-(メチルアミノ)-9H-プリン-9-イル]メチル}ブチル]ホスホナート
  • diethyl [(3S)-4-[(diethoxyphosphoryl)oxy]-1,1-difluoro-3-{[6-(methylamino)-9H-purin-9-yl]methyl}butyl]phosphonate
Other name (1)：
  • (S)-1,1-Difluoro-3-[6-(methylamino)-9H-purine-9-ylmethyl]-4-(diethoxyphosphinyloxy)butylphosphonic acid diethyl ester
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