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

Molecule SVG Image

Properties Simple | Detailed

Formula C21H22N2O5
IUPAC Name 5-[(3-benzyloxyphenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Molecular Mass 382.410 g·mol−1
Heat of Formation -678.2 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 446.88 Å 3
Surface Area 351.59 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)pyrimidine-2,4(1h,3h)-dione
  • 1-(2-hydroxyethoxymethyl)-5-[[3-(phenylmethoxy)phenyl]methyl]pyrimidine-2,4-dione
  • 2,4(1h,3h)-pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-((3-(phenylmethoxy)phenyl)methyl)-
  • 2,4(1h,3h)-pyrimidinedione, 1-((2-hydroxyethyoxy)methyl)-5-((3-(phenylmethoxy)phenyl)methyl)-
  • 5-(m-benzyloxybenzyl)-1-(2'-hydroxyethoxymethyl)uracil
  • 5-[3-(benzyloxy)benzyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-quinone
  • 5-bbau
  • 5-benzyloxybenzylacyclouridine
CAS Number(s)
  • 82857-75-8
InChIKey CSXNPJKDZKLDET-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N