3-{5-O-[4-(Fluorosulfonyl)Benzoyl]-β-D-Ribofuranosyl}-3H-Imidazo[2,1-I]Purine

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Properties Simple | Detailed

Formula C19H16FN5O7S
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methyl 4-fluorosulfonylbenzoate
Molecular Mass 477.423 g·mol−1
Heat of Formation -876.1 ± 16.7 kJ·mol−1
Dipole Moment 8.62 ± 1.08 D
Volume 486.86 Å 3
Surface Area 420.09 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry C1
Synonyms
  • (5'-(p-fluorosulfonyl)benzoyl)-1,n(6)-ethenoadenosine
  • 3h-imidazo(2,1-i)purine, 3-(5-o-(4-(fluorosulfonyl)benzoyl)-beta-d-ribofuranosyl)-
  • 4-fluorosulfonylbenzoic acid [(2r,3s,4r,5r)-3,4-dihydroxy-5-(3-imidazo[2,1-f]purinyl)-2-tetrahydrofuranyl]methyl ester
  • 4-fluorosulfonylbenzoic acid [(2r,3s,4r,5r)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methyl ester
  • 5'-(4-fluorosulfonylbenzoyl)-1,n(6)-ethenoadenosine
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-oxolan-2-yl]methyl 4-fluorosulfonylbenzoate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methyl 4-fluorosulfonylbenzoate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methyl 4-fluorosulfonylbenzoate
  • fsbn-ethenoadenosine
CAS Number(s)
  • 76021-83-5
InChIKey HXVFORXFFWQLLY-SCFUHWHPSA-N
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