Chem
J-GLOBAL ID：200907056019614862   Nikkaji number：J1.496.942J

2′β-Fluoro-3′-O-(4-fluorophenoxycarbonothioyl)-5′-O-trityl-2′-deoxyadenosine

2′β-フルオロ-3′-O-(4-フルオロフェノキシカルボノチオイル)-5′-O-トリチル-2′-デオキシアデノシン
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： C36H29F2N5O4S
Molecular formula furigana： C36-H29-F2-N5-O4-S
Molecular weight： 665.720
InChI： InChI=1S/C36H29F2N5O4S/c37-26-16-18-27(19-17-26)45-35(48)47-31-28(46-34(29(31)38)43-22-42-30-32(39)40-21-41-33(30)43)20-44-36(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,21-22,28-29,31,34H,20H2,(H2,39,40,41)/t28-,29+,31-,34-/m1/s1
InChI key： NBCWAKVHVZVEPF-QPBRMJRSSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(=S)Oc2ccc(F)cc2)[C@@H]1F
Systematic name  (3)：
  • 2′β-フルオロ-3′-O-(4-フルオロフェノキシカルボノチオイル)-5′-O-トリチル-2′-デオキシアデノシン
  • {[(2R,3R,4S,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-フルオロ-2-[(トリフェニルメトキシ)メチル]オキソラン-3-イル]オキシ}(4-フルオロフェノキシ)メタンチオン
  • {[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2-[(triphenylmethoxy)methyl]oxolan-3-yl]oxy}(4-fluorophenoxy)methanethione
Other name (1)：
  • 2′β-Fluoro-3′-O-(4-fluorophenoxycarbonothioyl)-5′-O-trityl-2′-deoxyadenosine
Thsaurus map：
Thesaurus Map

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