8-Oxo-2,3,7,8-Tetrahydroxanthosine

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Properties Simple | Detailed

Formula C10H12N4O7
IUPAC Name 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,7-dihydropurine-4,5-diide-2,6,8-trione
Molecular Mass 300.225 g·mol−1
Heat of Formation -1152.6 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 299.3 Å 3
Surface Area 264.1 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6,8(3h)-trione, 7,9-dihydro-9-beta-d-ribofuranosyl-
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3,7-dihydropurine-2,6,8-trione
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropurine-2,6,8-trione
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,7-dihydropurine-2,6,8-trione
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]uric acid
  • 9-n-ribofuranosyluric acid
  • 9-ribosyluric acid
CAS Number(s)
  • 21082-30-4
InChIKey XRFDFDQNRIGZOW-UMMCILCDSA-N
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