2-Amino-7-(5-O-Phosphono-β-D-Ribofuranosyl)-1,7-Dihydro-4H-Pyrrolo[2,3-D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C11H15N4O8P
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-4-oxo-1,6-dihydropyrrolo[2,3-d]pyrimidine-3,7-diium-6-ylium-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 362.233 g·mol−1
Heat of Formation -1501.3 ± 16.7 kJ·mol−1
Dipole Moment 10.72 ± 1.08 D
Volume 367.38 Å 3
Surface Area 325.25 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-pyrrolo(2,3-d)pyrimidin-4-one, 2-amino-1,7-dihydro-7-(5-o-phosphono-beta-d-ribofuranosyl)-, homopolymer
  • [(2r,3s,4r,5r)-5-(2-amino-4-keto-1h-pyrrolo[3,2-e]pyrimidin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-4-oxo-1h-pyrrolo[3,2-e]pyrimidin-7-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-4-oxo-1h-pyrrolo[3,2-e]pyrimidin-7-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-4-oxo-1h-pyrrolo[3,2-e]pyrimidin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-4-oxo-1h-pyrrolo[3,2-e]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • poly(7-deazaguanylic acid)
CAS Number(s)
  • 82513-50-6
InChIKey PRWBQQDXKZTQJR-DAGMQNCNSA-N
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