Chem
J-GLOBAL ID：200907074249227157   Nikkaji number：J624.262F

AR-C66096

AR-C66096
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： C14H22F2N5O12P3S
Molecular formula furigana： C14-H22-F2-N5-O12-P3-S
Molecular weight： 615.330
InChI： InChI=1S/C14H22F2N5O12P3S/c1-2-3-37-13-19-10(17)7-11(20-13)21(5-18-7)12-9(23)8(22)6(32-12)4-31-36(29,30)33-35(27,28)14(15,16)34(24,25)26/h5-6,8-9,12,22-23H,2-4H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t6-,8-,9-,12-/m1/s1
InChI key： ZQXUQOHLHUWLSA-WOUKDFQISA-N
SMILES： CCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)C(F)(F)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1
Systematic name  (6)：
  • 2-(プロピルチオ)アデノシン5′-(りん酸ホスホノジフルオロメチルホスホニル)
  • 2-(プロピルチオ)-5′-アデニル酸[(ホスホノ)ジフルオロメチル]ホスホニル
  • 2-(プロピルチオ)-5′-O-[(ホスホノジフルオロメチル)ホスホニルオキシホスホニル]アデノシン
  • 2-(プロピルチオ)-5′-O-[[(ジフルオロホスホノメチル)ホスホニルオキシ]ホスホニル]アデノシン
  • ({[({[(2R,3S,4R,5R)-5-[6-アミノ-2-(プロピルスルファニル)-9H-プリン-9-イル]-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}ジフルオロメチル)ホスホン酸
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Other name (8)：
  • FPL-66096
  • 2-(Propylthio)adenosine 5′-(phosphoric acid phosphonodifluoromethylphosphonyl) ester
  • 2-(Propylthio)-5′-adenylic acid [(phosphono)difluoromethyl]phosphonyl ester
  • AR-C66096
  • 2-(Propylthio)-5′-O-[(phosphonodifluoromethyl)phosphonyloxyphosphonyl]adenosine
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CAS registry number： 145783-24-0
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