1-(β-D-Arabinofuranosyl)-5-[(E)-2-Iodovinyl]-2,4(1H,3H)-Pyrimidinedione

Molecule SVG Image

Properties Simple | Detailed

Formula C11H13IN2O6
IUPAC Name 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(e)-2-iodovinyl]pyrimidine-2,4-dione
Molecular Mass 396.135 g·mol−1
Heat of Formation -918.9 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 334.36 Å 3
Surface Area 288.15 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-((e)-2-iodo-vinyl)-1h-pyrimidine-2,4-dione
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-[(e)-2-iodovinyl]pyrimidine-2,4-dione
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(e)-2-iodoethenyl]pyrimidine-2,4-dione
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(e)-2-iodovinyl]pyrimidine-2,4-dione
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-5-[(e)-2-iodovinyl]pyrimidine-2,4-quinone
  • 1-beta-d-arabinofuranosyl-e-5-iodovinyluracil
  • 2,4(1h,3h)-pyrimidinedione, 1-beta-d-arabinofuranosyl-5-(2-iodoethenyl)-, (e)-
  • arabinofuranosyl-e-5-iodovinyluracil
  • ivarau
CAS Number(s)
  • 87535-95-3
InChIKey ANRZVKXALDTWES-HQNLTJAPSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements I H C O N