2'-Chloro-2'-Deoxyuridine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C9H14ClN2O14P3
IUPAC Name [[(2r,3r,4r,5r)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 502.587 g·mol−1
Heat of Formation -3487.5 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 456.7 Å 3
Surface Area 368.43 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -1.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-chloro-2'-deoxyuridine 5'-triphosphate
  • 2'-chloro-2'-dutp
  • [(2r,3r,4r,5r)-4-chloro-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4r,5r)-4-chloro-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3r,4r,5r)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4r,5r)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4r,5r)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • uridine 5'-(tetrahydrogen triphosphate), 2'-chloro-2'-deoxy-
CAS Number(s)
  • 61468-91-5
InChIKey SHOUAVVTZBMTEU-XVFCMESISA-N
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Elements C Cl H O N P