2'-Deoxy-2-Oxo-2-Hydroadenosine

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Properties Simple | Detailed

Formula C10H14N5O4
IUPAC Name 6-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-purine-3,7-diium-6-id-2-one
Molecular Mass 268.249 g·mol−1
Heat of Formation -494.9 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 287.67 Å 3
Surface Area 258.88 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-dihydro-2'-deoxy-2-oxoadenosine
  • 2'-deoxyisoguanosine
  • 2-hydroxydeoxyadenosine
  • 6-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1h-purin-2-one
  • 6-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1h-purin-2-one
  • 6-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-purin-2-one
  • 6-amino-9-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-1h-purin-2-one
  • adenosine, 1,2-dihydro-2'-deoxy-2-oxo-
  • deoxyisoguanosine
CAS Number(s)
  • 106449-56-3
InChIKey SWFIFWZFCNRPBN-KVQBGUIXSA-N
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