1-(3-Deoxy-3-Iodo-β-D-Arabinofuranosyl)-2,4(1H,3H)-Pyrimidinedione

Molecule SVG Image

Properties Simple | Detailed

Formula C9H11IN2O5
IUPAC Name 1-[(2r,3r,4s,5r)-3-hydroxy-5-(hydroxymethyl)-4-iodo-tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 354.099 g·mol−1
Heat of Formation -784.7 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 286.64 Å 3
Surface Area 253.56 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3'-iodo-3'-deoxyarabinofuranosyl)uracil
  • 1-[(2r,3r,4s,5r)-3-hydroxy-4-iodo-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • 1-[(2r,3r,4s,5r)-3-hydroxy-5-(hydroxymethyl)-4-iodo-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3-hydroxy-5-(hydroxymethyl)-4-iodo-oxolan-2-yl]pyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3-hydroxy-5-(hydroxymethyl)-4-iodo-tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3-hydroxy-5-(hydroxymethyl)-4-iodooxolan-2-yl]pyrimidine-2,4-dione
  • 2,4(1h,3h)-pyrimidinedione, 1-(3-deoxy-3-iodo-beta-d-arabinofuranosyl)-
  • 3-i-ara-u
CAS Number(s)
  • 19325-95-2
InChIKey ZPBRIWRUKVZCRW-CCXZUQQUSA-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