5'-S-(Fluoromethyl)-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-(fluoromethylsulfanylmethyl)tetrahydrofuran-3,4-diol
Molecular Mass 315.324 g·mol−1
Heat of Formation -451.0 ± 16.7 kJ·mol−1
Dipole Moment 1.10 ± 1.08 D
Volume 337.15 Å 3
Surface Area 290.22 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s)-2-(6-amino-9-purinyl)-5-[(fluoromethylthio)methyl]tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-(fluoromethylsulfanylmethyl)oxolane-3,4-diol
  • (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-(fluoromethylsulfanylmethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-[(fluoromethylthio)methyl]tetrahydrofuran-3,4-diol
  • 5'-deoxy-5'-((monofluoromethyl)thio)adenosine
  • 5'-dmfta
  • adenosine, 5'-s-(fluoromethyl)-5'-thio-
CAS Number(s)
  • 118560-47-7
InChIKey ODBRSICVCFEIMK-IOSLPCCCSA-N
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