2'-Deoxy-8-Oxo-8-Hydroadenosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H14N5O7P
IUPAC Name 6-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7h-purine-1,3-diium-5-id-8-one; phosphenic acid
Molecular Mass 347.221 g·mol−1
Heat of Formation -1374.3 ± 16.7 kJ·mol−1
Dipole Moment 7.01 ± 1.08 D
Volume 346.28 Å 3
Surface Area 289.06 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-(6-amino-8-keto-7h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(6-amino-8-oxo-7h-purin-9-yl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(6-amino-8-oxo-7h-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(6-amino-8-oxo-7h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey QFGWDFAYOAGQDH-KVQBGUIXSA-N
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