2-Oxoadenosine

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Properties Simple | Detailed

Formula C10H14N5O5
IUPAC Name 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-purine-3,7-diium-6-id-2-one
Molecular Mass 284.249 g·mol−1
Heat of Formation -672.3 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 298.71 Å 3
Surface Area 266.65 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-dihydro-2-oxoadenosine
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1h-purin-2-one
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1h-purin-2-one
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-purin-2-one
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1h-purin-2-one
  • 9h-purin-2-ol, 6-amino-9-beta-d-ribofuranosyl-
  • adenosine, 1,2-dihydro-2-oxo-
  • crotonoside
  • isoguanine, 9-beta-d-ribofuranosyl-
  • isoguanosine
  • isoguanosine (7ci,8ci)
  • isoguanosine (van) (8ci)
  • pdsp1_000998
  • pdsp2_000982
CAS Number(s)
  • 1818-71-9
InChIKey MIKUYHXYGGJMLM-UUOKFMHZSA-N
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