2-Amino-9-(5-O-Phosphono-β-D-Xylofuranosyl)-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C10H15N5O8P
IUPAC Name [(2r,3r,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 364.229 g·mol−1
Heat of Formation -1448.4 ± 16.7 kJ·mol−1
Dipole Moment 9.73 ± 1.08 D
Volume 359.73 Å 3
Surface Area 317.35 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-purin-6-one, 2-amino-1,9-dihydro-9-(5-o-phosphono-beta-d-xylofuranosyl)-
  • 9-(beta-d-xylofuranosyl)guanine delta-5'-monophosphate
  • [(2r,3r,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 47349-49-5
InChIKey RQFCJASXJCIDSX-FTWQFJAYSA-N
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