5-[3-(Benzyloxy)Benzyl]-6-Hydroxy-1-[(2-Hydroxyethoxy)Methyl]-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C21H22N2O6++
IUPAC Name 5-[(3-benzyloxyphenyl)methyl]-6-hydroxy-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Molecular Mass 398.409 g·mol−1
Heat of Formation -882.6 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 456.74 Å 3
Surface Area 374.1 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)-6-hydroxypyrimidine-2,4(1h,3h)-dione
  • 5-[3-(benzyloxy)benzyl]-6-hydroxy-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-quinone
  • 6-hydroxy-1-(2-hydroxyethoxymethyl)-5-[[3-(phenylmethoxy)phenyl]methyl]pyrimidine-2,4-dione
InChIKey CAWXCABXSPTFRN-UHFFFAOYSA-N
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