5-Chloro-2'-Deoxyuridine 5'-(Dihydrogen Phosphate)

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Formula C9H12ClN2O8P
IUPAC Name [(2r,3s,5r)-5-(5-chloro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 342.627 g·mol−1
Heat of Formation -1742.9 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 332.81 Å 3
Surface Area 290.59 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-(5-chloro-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-chloro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-chloro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-chloro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey RBQXEHDSKLSKLJ-RRKCRQDMSA-N
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Elements C Cl H O N P