2-Amino-9-(2-O-Phosphono-α-D-Ribofuranosyl)-7,9-Dihydro-3H-Purine-6,8-Dione

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Properties Simple | Detailed

Formula C10H14N5O9P
IUPAC Name [(2s,3r,4r,5r)-2-(2-amino-6,8-dioxo-3h-purine-1,7,9-triium-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 379.220 g·mol−1
Heat of Formation -1742.6 ± 16.7 kJ·mol−1
Dipole Moment 7.58 ± 1.08 D
Volume 367.95 Å 3
Surface Area 301.09 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-guanylic acid, 7,8-dihydro-8-oxo-
  • 7,8-dihydro-8-oxo-2'-guanylic acid
  • 8-ketoguanosine 2'-phosphate
  • 8-oxo-2'-gmp
  • 8-oxoguanosine 2'-phosphate
  • [(2s,3r,4r,5r)-2-(2-amino-6,8-diketo-3,7-dihydropurin-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2s,3r,4r,5r)-2-(2-amino-6,8-dioxo-3,7-dihydropurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate
  • [(2s,3r,4r,5r)-2-(2-amino-6,8-dioxo-3,7-dihydropurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
  • [(2s,3r,4r,5r)-2-(2-amino-6,8-dioxo-3,7-dihydropurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
CAS Number(s)
  • 85775-41-3
InChIKey QUAVZOCISXBHMJ-RUVBSYQFSA-N
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