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

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Formula C8H13N3O9P2S
IUPAC Name [(2r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 389.216 g·mol−1
Heat of Formation -2098.3 ± 16.7 kJ·mol−1
Dipole Moment 9.19 ± 1.08 D
Volume 379.16 Å 3
Surface Area 311.06 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,5s)-5-(4-amino-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,5s)-5-(4-amino-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,5s)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl phosphono hydrogen phosphate
InChIKey AAHOBGDTTMOZKD-NKWVEPMBSA-N
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