N-(8-Aminopyrimido[5,4-D]Pyrimidin-4-Yl)-5-O-Phosphono-β-D-Ribofuranosylamine

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Properties Simple | Detailed

Formula C11H15N6O7P
IUPAC Name [(2r,3s,4r,5r)-5-[(8-aminopyrimido[5,4-d]pyrimidin-4-yl)amino]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 374.247 g·mol−1
Heat of Formation -1320.7 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 373.89 Å 3
Surface Area 308.97 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-8-(ribofuranosylamino)pyrimido(5,4-d)pyrimidine-5'-phosphate
  • [(2r,3s,4r,5r)-5-[(4-amino-8-pyrimido[6,5-e]pyrimidinyl)amino]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[(4-aminopyrimido[6,5-e]pyrimidin-8-yl)amino]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[(4-aminopyrimido[6,5-e]pyrimidin-8-yl)amino]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[(4-aminopyrimido[6,5-e]pyrimidin-8-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • app-mp
  • beta-d-ribofuranosylamine, n-(8-aminopyrimido(5,4-alpha)pyrimidin-4-yl)-, 5-(dihydrogen phosphate)
CAS Number(s)
  • 116168-71-9
InChIKey MQPZPMKOLGVOHA-TZQXKBMNSA-N
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