9-(2,3-Di-O-Acetyl-β-D-Arabinofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C14H17N5O6
IUPAC Name [(2r,3r,4s,5r)-4-acetoxy-5-(6-aminopurin-9-ium-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] acetate
Molecular Mass 351.315 g·mol−1
Heat of Formation -850.0 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 384.82 Å 3
Surface Area 323.7 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 9h-purin-6-amine, 9-(2,3-di-o-acetyl-beta-d-arabinofuranosyl)-
  • [(2r,3s,4r,5r)-4-acetoxy-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-yl] acetate
  • [(2r,3s,4r,5r)-4-acetyloxy-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] ethanoate
  • acetic acid [(2r,3s,4r,5r)-4-acetoxy-2-(6-amino-9-purinyl)-5-(hydroxymethyl)-3-tetrahydrofuranyl] ester
  • acetic acid [(2r,3s,4r,5r)-4-acetoxy-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3-yl] ester
  • ara-ada
  • arabinofuranosyladenine-2',3'-diacetate
  • vidarabine 2',3'-diacetate
CAS Number(s)
  • 65174-96-1
InChIKey OUQFHKYWNKYTTQ-GCDPNZCJSA-N
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