2-Amino-1-(2-Deoxy-5-O-Phosphono-β-D-Erythro-Pentofuranosyl)-5-Methyl-4(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C10H16N3O7P
IUPAC Name [(2r,3s,5r)-5-(2-amino-5-methyl-4-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 321.224 g·mol−1
Heat of Formation -1461.0 ± 16.7 kJ·mol−1
Dipole Moment 6.65 ± 1.08 D
Volume 333.83 Å 3
Surface Area 285.47 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-(2-amino-4-keto-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-5-methyl-4-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-5-methyl-4-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-5-methyl-4-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • imc
  • n1-[2-deoxy-ribofuranosyl]-[2-amino-5-methyl-4-oxo-4h-pyrimidine]-5'-monophosphate
InChIKey LBQNUQWNLDITAW-XLPZGREQSA-N
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