2-Amino-9-(2-Deoxy-2-Fluoro-α-D-Arabinofuranosyl)-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C10H12FN5O4
IUPAC Name 2-amino-9-[(2s,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,8-dihydropurine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 285.232 g·mol−1
Heat of Formation -608.7 ± 16.7 kJ·mol−1
Dipole Moment 10.03 ± 1.08 D
Volume 297.58 Å 3
Surface Area 267.53 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(2s,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-purin-6-one
  • 2-amino-9-[(2s,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
  • 2-amino-9-[(2s,3s,4r,5r)-3-fluoro-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-purin-6-one
InChIKey UXUZARPLRQRNNX-AQZRFWRFSA-N
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