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

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Formula C9H14N3O7P
IUPAC Name [(2s,3r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 307.197 g·mol−1
Heat of Formation -1480.0 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 317.9 Å 3
Surface Area 278.61 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3r,5s)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2s,3r,5s)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2s,3r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2s,3r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey NCMVOABPESMRCP-CHKWXVPMSA-N
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