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

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Formula C9H13N3O11P2
IUPAC Name [(2r)-2-[(1r)-1-(4-amino-2-oxo-pyrimidin-1-yl)-2-oxo-ethoxy]-3-oxo-propyl] phosphono hydrogen phosphate
Molecular Mass 401.161 g·mol−1
Heat of Formation -2344.2 ± 16.7 kJ·mol−1
Dipole Moment 8.83 ± 1.08 D
Volume 394.11 Å 3
Surface Area 319.3 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r)-2-[(1r)-1-(4-amino-2-keto-pyrimidin-1-yl)-2-keto-ethoxy]-3-keto-propyl] phosphono hydrogen phosphate
  • [(2r)-2-[(1r)-1-(4-amino-2-oxo-1-pyrimidinyl)-2-oxoethoxy]-3-oxopropyl] phosphono hydrogen phosphate
  • [(2r)-2-[(1r)-1-(4-amino-2-oxo-pyrimidin-1-yl)-2-oxo-ethoxy]-3-oxo-propyl] phosphono hydrogen phosphate
  • cdp 2',3'-dialdehyde
  • cytidine 5'-diphosphate 2',3'-dialdehyde
  • dial-cdp
  • diphosphoric acid, mono(2-(1-(4-amino-2-oxo-1(2h)-pyrimidinyl)-2-oxoethoxy)-3-oxopropyl) ester, (r-(r*,r*))-
CAS Number(s)
  • 87668-74-4
InChIKey XKNZZWKZFGFISK-POYBYMJQSA-N
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