2-{[5-(3-{[4-(Benzyloxy)Benzyl]Oxy}Benzyl)-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl]Methoxy}Ethyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C28H29N2O9P
IUPAC Name 2-[[2,4-dioxo-5-[[3-[[4-(phenylmethoxy)benzene-3,5-diid-1-yl]methoxy]phenyl]methyl]pyrimidin-1-yl]methoxy]ethyl phosphate
Molecular Mass 568.512 g·mol−1
Heat of Formation -1637.6 ± 16.7 kJ·mol−1
Dipole Moment 9.55 ± 1.08 D
Volume 638.1 Å 3
Surface Area 463.6 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-((3-((4-(phenylmethoxy)phenyl)methoxy)phenyl)methyl)-1-((2-(phosphonooxy)ethoxy)methyl)-
  • 2-[[2,4-dioxo-5-[[3-[[4-(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-1-pyrimidinyl]methoxy]ethyl dihydrogen phosphate
  • 2-[[2,4-dioxo-5-[[3-[[4-(phenylmethoxy)phenyl]methoxy]phenyl]methyl]pyrimidin-1-yl]methoxy]ethyl dihydrogen phosphate
  • 2-[[5-[3-[4-(benzyloxy)benzyl]oxybenzyl]-2,4-diketo-pyrimidin-1-yl]methoxy]ethyl dihydrogen phosphate
  • bbbaump
  • benzyoxybenzyloxybenzylacyclouridine monophosphate
CAS Number(s)
  • 141673-56-5
InChIKey XCOONYXZJAMJOE-UHFFFAOYSA-N
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