Chem
J-GLOBAL ID：200907033861108355   Nikkaji number：J1.137.826I

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

2′β-フルオロ-3′-O-(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： C36H30FN5O4S
Molecular formula furigana： C36-H30-F-N5-O4-S
Molecular weight： 647.730
InChI： InChI=1S/C36H30FN5O4S/c37-29-31(46-35(47)44-27-19-11-4-12-20-27)28(45-34(29)42-23-41-30-32(38)39-22-40-33(30)42)21-43-36(24-13-5-1-6-14-24,25-15-7-2-8-16-25)26-17-9-3-10-18-26/h1-20,22-23,28-29,31,34H,21H2,(H2,38,39,40)/t28-,29+,31-,34-/m1/s1
InChI key： LTVJOOVYOVYVCR-QPBRMJRSSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(=S)Oc2ccccc2)[C@@H]1F
Systematic name  (3)：
  • 2′β-フルオロ-3′-O-(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}(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}(phenoxy)methanethione
Other name (1)：
  • 2′β-Fluoro-3′-O-(phenoxycarbonothioyl)-5′-O-trityl-2′-deoxyadenosine
Thsaurus map：
Thesaurus Map

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