[(2S,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-2-Fluoro-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Sulfamate

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Properties Simple | Detailed

Formula C10H15FN6O6S
IUPAC Name [(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
Molecular Mass 366.326 g·mol−1
Heat of Formation -991.9 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 363.0 Å 3
Surface Area 309.21 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • 4'-c-fluoroadenosine 5'-sulfamate
  • 4'-fluoro-5'-o-sulfamoyladenosine
  • 9-(4-fluoro-5-o-sulfamoylpentofuranosyl)adenine
  • [(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxy-oxolan-2-yl]methyl sulfamate
  • [(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate
  • adenosine, 4'-c-fluoro-, 5'-sulfamate
  • antibiotic t-3018
  • nucleocidin
  • nulceocidin
  • sulfamic acid [(2s,3s,4r,5r)-5-(6-amino-9-purinyl)-2-fluoro-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • sulfamic acid [(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
  • t-3018
CAS Number(s)
  • 24751-69-7
InChIKey LTBCQBSAWAZBDF-MLTZYSBQSA-N
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