Chem
J-GLOBAL ID：200907041833275133   Nikkaji number：J2.146.005B

(R)-1,1-Difluoro-3-(6-chloro-9H-purine-9-ylmethyl)-4-(diethoxyphosphinyloxy)butylphosphonic acid diethyl ester

(R)-1,1-ジフルオロ-3-(6-クロロ-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： C18H29ClF2N4O7P2
Molecular formula furigana： C18-H29-CL-F2-N4-O7-P2
Molecular weight： 548.850
InChI： InChI=1S/C18H29ClF2N4O7P2/c1-5-28-33(26,29-6-2)18(20,21)9-14(11-32-34(27,30-7-3)31-8-4)10-25-13-24-15-16(19)22-12-23-17(15)25/h12-14H,5-11H2,1-4H3/t14-/m1/s1
InChI key： ILUNKXVYFCSJNU-CQSZACIVSA-N
SMILES： CCOP(=O)(OCC)OC[C@@H](Cn1cnc2c(Cl)ncnc12)CC(F)(F)P(=O)(OCC)OCC
Systematic name  (3)：
  • (R)-1,1-ジフルオロ-3-(6-クロロ-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 [(3R)-3-[(6-クロロ-9H-プリン-9-イル)メチル]-4-[(ジエトキシホスホリル)オキシ]-1,1-ジフルオロブチル]ホスホナート
  • diethyl [(3R)-3-[(6-chloro-9H-purin-9-yl)methyl]-4-[(diethoxyphosphoryl)oxy]-1,1-difluorobutyl]phosphonate
Other name (1)：
  • (R)-1,1-Difluoro-3-(6-chloro-9H-purine-9-ylmethyl)-4-(diethoxyphosphinyloxy)butylphosphonic acid diethyl ester
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