6-Amino-3-{5-O-[Hydroxy(Phosphonooxy)Phosphoryl]-β-D-Ribofuranosyl}-3,7-Dihydro-2H-Purin-2-One

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Properties Simple | Detailed

Formula C10H15N5O11P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-2-oxo-7h-purin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 443.201 g·mol−1
Heat of Formation -2364.4 ± 16.7 kJ·mol−1
Dipole Moment 8.71 ± 1.08 D
Volume 417.31 Å 3
Surface Area 336.66 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-purin-2-one, 6-amino-1,3-dihydro-3-(5-o-(hydroxy(phosphonooxy)phosphinyl)-beta-d-ribofuranosyl)-
  • 3-isoisoguanosine 5'-diphosphate
  • 3-ribofuranosylisoguanosine 5'-diphosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-keto-7h-purin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-oxo-7h-purin-3-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-oxo-7h-purin-3-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-oxo-7h-purin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-oxo-7h-purin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CAS Number(s)
  • 135052-71-0
InChIKey DWMSKIWTKARTMX-UUOKFMHZSA-N
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