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 C11H14N3O8P
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxo-1h-pyrrolo[2,3-d]pyrimidine-3,7-diium-7a-ylium-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 347.218 g·mol−1
Heat of Formation -1508.8 ± 16.7 kJ·mol−1
Dipole Moment 9.29 ± 1.08 D
Volume 352.43 Å 3
Surface Area 304.88 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 3,7-dihydro-7-(5-o-phosphono-beta-d-ribofuranosyl)-4h-pyrrolo(2,3-d)pyrimidin-4-one homopolymer
  • 4h-pyrrolo(2,3-d)pyrimidin-4-one, 3,7-dihydro-7-(5-o-phosphono-beta-d-ribofuranosyl)-, homopolymer
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-keto-1h-pyrrolo[3,2-e]pyrimidin-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxo-1h-pyrrolo[3,2-e]pyrimidin-7-yl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxo-1h-pyrrolo[3,2-e]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxo-1h-pyrrolo[3,2-e]pyrimidin-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • poly (7-deazainosinic acid)
  • poly(7-deazainosinic acid)
CAS Number(s)
  • 53794-83-5
InChIKey QXKLYPSKHHUZDF-KCGFPETGSA-N
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