2-Amino-9-(β-D-Arabinofuranosyl)-8-Bromo-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C10H19BrN5O5+
IUPAC Name 2-amino-8-bromo-9-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 369.192 g·mol−1
Heat of Formation -605.7 ± 16.7 kJ·mol−1
Dipole Moment 13.34 ± 1.08 D
Volume 323.96 Å 3
Surface Area 278.5 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-8-bromo-9-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-purin-6-one
  • 2-amino-8-bromo-9-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-purin-6-one
  • 2-amino-8-bromo-9-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
  • 2-amino-8-bromo-9-[(2r,3s,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-purin-6-one
InChIKey ASUCSHXLTWZYBA-AJFJRRQVSA-N
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Elements H C O Br N