6-Iodouridine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C9H12IN2O9P
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-iodo-2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 450.078 g·mol−1
Heat of Formation -1801.0 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 354.95 Å 3
Surface Area 306.48 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-iodo-2,4-diketo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-iodo-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-iodo-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
InChIKey VVCMFHKXDUPDFB-YXZULKJRSA-N
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