2'-Deoxy-5'-O-[4-(Fluorosulfonyl)Benzoyl]Adenosine

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Properties Simple | Detailed

Formula C17H16FN5O6S
IUPAC Name [(2r,3s,5r)-5-(6-aminopurin-9-ium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-fluorosulfonylbenzoate
Molecular Mass 437.402 g·mol−1
Heat of Formation -901.9 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 455.86 Å 3
Surface Area 340.76 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 4-fluorosulfonylbenzoic acid [(2r,3s,5r)-5-(6-amino-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl ester
  • 4-fluorosulfonylbenzoic acid [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester
  • 5'-fluorosulfonylbenzoyldeoxyadenosine
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl 4-fluorosulfonylbenzoate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-fluorosulfonylbenzoate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 4-fluorosulfonylbenzoate
  • fsbda
CAS Number(s)
  • 126463-19-2
InChIKey LHCIYNNCZKYAFR-YNEHKIRRSA-N
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