2'-Deoxy-8-Nitroguanosine

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Properties Simple | Detailed

Formula C10H13N6O6
IUPAC Name 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-nitro-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 313.247 g·mol−1
Heat of Formation -390.5 ± 16.7 kJ·mol−1
Dipole Moment 11.27 ± 1.08 D
Volume 317.92 Å 3
Surface Area 281.55 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-8-nitro-3h-purin-6-one
  • 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-nitro-3h-purin-6-one
  • 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-nitro-3h-purin-6-one
  • 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-8-nitro-3h-purin-6-one
  • 8-nitro-2'-deoxyguanosine
InChIKey BECVUBIJIDVYQQ-VPENINKCSA-N
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