5'-O-(3-Chloro-2-Oxopropyl)Uridine 3'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C12H17ClN2O13P2
IUPAC Name [(2r,3s,4r,5r)-2-[(3-chloro-2-oxo-propoxy)methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-3-yl] phosphono hydrogen phosphate
Molecular Mass 494.670 g·mol−1
Heat of Formation -2891.0 ± 16.7 kJ·mol−1
Dipole Moment 7.67 ± 1.08 D
Volume 483.36 Å 3
Surface Area 393.07 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-2-[(3-chloro-2-keto-propoxy)methyl]-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-2-[(3-chloro-2-oxo-propoxy)methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-oxolan-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-2-[(3-chloro-2-oxo-propoxy)methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-2-[(3-chloro-2-oxopropoxy)methyl]-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-tetrahydrofuranyl] phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-2-[(3-chloro-2-oxopropoxy)methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl] phosphono hydrogen phosphate
  • udp chloroacetol
  • uridine 5'-(trihydrogen diphosphate), p'-(3-chloro-2-oxopropyl) ester
  • uridine 5'-diphosphate chloroacetol
CAS Number(s)
  • 125303-04-0
InChIKey SUOHVUDMBFAFKZ-QCNRFFRDSA-N
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Elements C Cl H O N P