5-Benzyl-1-{[(1,3-Dihydroxy-2-Propanyl)Oxy]Methyl}-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C15H18N2O5
IUPAC Name 5-benzyl-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]pyrimidine-2,4-dione
Molecular Mass 306.314 g·mol−1
Heat of Formation -792.1 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 362.06 Å 3
Surface Area 299.98 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-5-benzyluracil
  • 1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-5-(phenylmethyl)pyrimidine-2,4-dione
  • 2,4(1h,3h)-pyrimidinedione, 1-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-5-(phenylmethyl)-
  • 5-(benzyl)-1-[(2-hydroxy-1-methylol-ethoxy)methyl]pyrimidine-2,4-quinone
  • dhpbu
CAS Number(s)
  • 96328-44-8
InChIKey VQIIGZBDLZQJKL-UHFFFAOYSA-N
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