Chem
J-GLOBAL ID：200907007983382325   Nikkaji number：J1.089.474C

AR-C-69931MX

AR-C-69931MX
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： C17H25Cl2F3N5O12P3S2
Molecular formula furigana： C17-H25-CL2-F3-N5-O12-P3-S2
Molecular weight： 776.350
InChI： InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1
InChI key： PAEBIVWUMLRPSK-IDTAVKCVSA-N
SMILES： CSCCNc1nc(SCCC(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O
Systematic name  (4)：
  • N-[2-(メチルチオ)エチル]-2-[(3,3,3-トリフルオロプロピル)チオ]-5′-O-[[(ジクロロホスホノメチル)ホスホニルオキシ]ホスホニル]アデノシン
  • N-[2-(メチルチオ)エチル]-2-[(3,3,3-トリフルオロプロピル)チオ]-5′-アデニル酸(ジクロロホスホノメチル)ホスホニル
  • [ジクロロ({[({[(2R,3S,4R,5R)-3,4-ジヒドロキシ-5-(6-{[2-(メチルスルファニル)エチル]アミノ}-2-[(3,3,3-トリフルオロプロピル)スルファニル]-9H-プリン-9-イル)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})メチル]ホスホン酸
  • [dichloro({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-{[2-(methylsulfanyl)ethyl]amino}-2-[(3,3,3-trifluoropropyl)sulfanyl]-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl})methyl]phosphonic acid
Other name (5)：
  • N-[2-(Methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-5′-O-[[(dichlorophosphonomethyl)phosphonyloxy]phosphonyl]adenosine
  • AR-C-69931MX
  • AR-C69931MX
  • N-[2-(Methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-5′-adenylic acid (dichlorophosphonomethyl)phosphonyl ester
  • ARC-69931MX
CAS registry number： 163706-06-7
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