(2R)-2-[(1R)-1-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-2-Oxoethoxy]-3-Oxopropyl Dihydrogen Phosphate

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Formula C9H12N3O8P
IUPAC Name [(2r)-2-[(1r)-1-(4-amino-2-oxo-pyrimidin-1-yl)-2-oxo-ethoxy]-3-oxo-propyl] dihydrogen phosphate
Molecular Mass 321.181 g·mol−1
Heat of Formation -1475.4 ± 16.7 kJ·mol−1
Dipole Moment 8.34 ± 1.08 D
Volume 330.77 Å 3
Surface Area 298.79 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 1(2h)-pyrimidineacetaldehyde, 4-amino-alpha-(1-formyl-2-(phosphonooxy)ethoxy)-2-oxo-, (r-(r*,r*))-
  • [(2r)-2-[(1r)-1-(4-amino-2-keto-pyrimidin-1-yl)-2-keto-ethoxy]-3-keto-propyl] dihydrogen phosphate
  • [(2r)-2-[(1r)-1-(4-amino-2-oxo-1-pyrimidinyl)-2-oxoethoxy]-3-oxopropyl] dihydrogen phosphate
  • [(2r)-2-[(1r)-1-(4-amino-2-oxo-pyrimidin-1-yl)-2-oxo-ethoxy]-3-oxo-propyl] dihydrogen phosphate
  • [(2r)-2-[(1r)-1-(4-amino-2-oxopyrimidin-1-yl)-2-oxoethoxy]-3-oxopropyl] dihydrogen phosphate
  • cmp dialdehyde
  • cytidine monophosphate dialdehyde
CAS Number(s)
  • 63589-74-2
InChIKey DBFRKFIQIGPEIP-POYBYMJQSA-N
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