3-(5-O-Phosphono-β-D-Ribofuranosyl)-3H-Purin-6-Amine

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Properties Simple | Detailed

Formula C10H14N5O7P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,7,9-triium-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 347.221 g·mol−1
Heat of Formation -1283.3 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 347.76 Å 3
Surface Area 295.43 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • 3-iamnp
  • 3-isoadenosine 5'-phosphate
  • 3h-purin-6-amine, 3-(5-o-phosphono-beta-d-ribofuranosyl)-
  • [(2r,3s,4r,5r)-5-(6-amino-3-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-3-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 2862-19-3
InChIKey YXKYJBZIZFOEPY-KQYNXXCUSA-N
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