8-Azido-5'-O-[4-(Fluorosulfonyl)Benzoyl]Adenosine

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Properties Simple | Detailed

Formula C17H18FN8O7S
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-8-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-fluorosulfonylbenzoate
Molecular Mass 497.438 g·mol−1
Heat of Formation -700.8 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 495.0 Å 3
Surface Area 420.19 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 4-fluorosulfonylbenzoic acid [(2r,3s,4r,5r)-5-(6-amino-8-azido-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • 4-fluorosulfonylbenzoic acid [(2r,3s,4r,5r)-5-(6-amino-8-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
  • 5'-(4-fluorosulfonyl)benzoyl-8-azidoadenosine
  • 5'-(para-fluorosulfonyl)benzoyl-8-azidoadenosine
  • 5'-4-(fluorosulfonyl)benzoyl-8-azidoadenosine
  • 5'-fsbaza
  • 8-azidoadenosine 5'-(4-(fluorosulfonyl)benzoate)
  • [(2r,3s,4r,5r)-5-(6-amino-8-azido-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl 4-fluorosulfonylbenzoate
  • [(2r,3s,4r,5r)-5-(6-amino-8-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 4-fluorosulfonylbenzoate
CAS Number(s)
  • 125366-29-2
InChIKey BIDGKNGECKEEAF-SDBHATRESA-N
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