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

Molecule SVG Image

Properties Simple | Detailed

Formula C25H19N2O6
IUPAC Name formaldehyde; (3-methyl-4,5-dihydrochromen-6-ylidene)methanone; methylidyne-[2-(oxomethyleneammoniocarbonyl)-3-[6-(oxomethylene)cyclohexa-2,4-dien-1-ylidene]allyl]ammonium
Molecular Mass 443.428 g·mol−1
Heat of Formation 3509.3 ± 16.7 kJ·mol−1
Dipole Moment 28.27 ± 1.08 D
Volume 494.18 Å 3
Surface Area 431.73 Å 2
HOMO Energy -7.86 ± 0.55 eV
LUMO Energy -2.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-hydroxyethoxymethyl)-5-[[3-[[4-(phenylmethoxy)phenyl]methoxy]phenyl]methyl]pyrimidine-2,4-dione
  • 2,4(1h,3h)-pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-((3-((4-(phenylmethoxy)phenyl)methoxy)phenyl)methyl)-
  • 5-(3-(4-benzyloxybenzyloxy)benzyl)-1-((2-hydroxyethoxy)methyl)uracil
  • 5-(benzyloxybenzyloxybenzyl)acyclouridine
  • 5-[3-[4-(benzyloxy)benzyl]oxybenzyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-quinone
  • bbbau
CAS Number(s)
  • 105847-66-3
InChIKey ICNZCFDJXIBTPV-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O N