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

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Properties Simple | Detailed

Formula C9H12N3O10P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-(5-nitro-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 353.179 g·mol−1
Heat of Formation -1707.6 ± 16.7 kJ·mol−1
Dipole Moment 8.37 ± 1.08 D
Volume 347.29 Å 3
Surface Area 303.48 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-uridylic acid, 2'-deoxy-5-nitro-
  • 5-nitro-2'-deoxyuridine 5'-monophosphate
  • 5-nitro-2'-deoxyuridylate
  • [(2r,3s,5r)-3-hydroxy-5-(5-nitro-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-nitro-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-nitro-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-nitro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(2,4-diketo-5-nitro-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 63689-79-2
InChIKey LVLPVLNNXRTCHP-RRKCRQDMSA-N
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