[(2S,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-1,3-Oxathiolan-2-Yl]Methyl Dihydrogen Phosphate

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Formula C8H12N3O6PS
IUPAC Name [(2s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
Molecular Mass 309.236 g·mol−1
Heat of Formation -1249.9 ± 16.7 kJ·mol−1
Dipole Moment 7.03 ± 1.08 D
Volume 307.9 Å 3
Surface Area 253.64 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 3.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyrimidinone, 4-amino-1-[(2s,5r)-2-[(phosphonooxy)methyl]-1,3-oxathiolan-5-yl]-
  • 3tcmp
  • [(2s,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
  • [(2s,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
  • [(2s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
InChIKey WUMZLKDCOINBEA-RQJHMYQMSA-N
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