2'-Deoxy-5-Iodouridine 5'-(Dihydrogen Phosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C9H12IN2O8P++
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 434.078 g·mol−1
Heat of Formation -1632.6 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 349.29 Å 3
Surface Area 293.2 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 1-{(4s,2r,5r)-4-hydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-5-iodo-1,3-dihydropyrimidine-2,4-dione
  • 5-iodo-2'-deoxyuridine-5'-monophosphate
  • 5iu
  • [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-diketo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
InChIKey WXFYBFRZROJDLL-RRKCRQDMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C I H O N P