3-(5-O-Phosphono-β-D-Ribofuranosyl)-7,9-Dihydro-1H-Purine-2,6,8(3H)-Trione

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Properties Simple | Detailed

Formula C10H15N4O10P
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2,6,8-trioxo-7,9-dihydropurine-4,5-diid-3-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 382.221 g·mol−1
Heat of Formation -1968.4 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 365.26 Å 3
Surface Area 322.5 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6,8(3h)-trione, 7,9-dihydro-3-(5-o-phosphono-beta-d-ribofuranosyl)-
  • 3-n-ribosyluric acid 5'-monophosphate
  • 3-ruamp
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2,6,8-triketo-7,9-dihydropurin-3-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2,6,8-trioxo-7,9-dihydropurin-3-yl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2,6,8-trioxo-7,9-dihydropurin-3-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 87004-59-9
InChIKey KEYCVJIWUICIIP-UMMCILCDSA-N
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