(5R)-5'-C-Fluoro-5'-S-Methyl-5'-Thioadenosine

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Properties Simple | Detailed

Formula C11H14FN5O3S
IUPAC Name (2r,3r,4s,5s)-2-(6-aminopurin-9-ium-9-yl)-5-[(r)-fluoro(methylsulfanyl)methyl]tetrahydrofuran-3,4-diol
Molecular Mass 315.324 g·mol−1
Heat of Formation -445.0 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 338.84 Å 3
Surface Area 288.93 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s)-2-(6-amino-9-purinyl)-5-[(r)-fluoro-(methylthio)methyl]tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-[(r)-fluoro-(methylthio)methyl]tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-[(r)-fluoro-methylsulfanyl-methyl]oxolane-3,4-diol
  • (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-[(r)-fluoro-methylsulfanyl-methyl]tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-[(r)-fluoro-methylsulfanylmethyl]oxolane-3,4-diol
  • 5'-deoxy-5'-fluoro-5'-(methylthio)adenosine
  • 5'-dfma
CAS Number(s)
  • 119771-21-0
InChIKey BTYPROBTLQKCNI-YUECIMINSA-N
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