3'-O-(4-{[(E)-2-Chlorovinyl](Methyl)Amino}Phenyl)-5'-O-(Dimethoxyphosphoryl)Uridine

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Properties Simple | Detailed

Formula C20H25ClN3O9P
IUPAC Name [(2r,3s,4r,5r)-3-[4-[[(e)-2-chlorovinyl]-methyl-amino]phenoxy]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl dimethyl phosphate
Molecular Mass 517.854 g·mol−1
Heat of Formation -1630.4 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 557.07 Å 3
Surface Area 465.48 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 2',3'-(o)-(4-(n-2-chloroethyl-n-methylamino)benzylidene)uridine-5'-methylphosphate
  • 2',3'-o-(4-(n-2-chloroethyl-n-methylamino)-benzylidine)-uridine-5'-methylphosphate
  • 5'-uridylic acid, 2',3'-o-((4-((2-chloroethyl)methyl)amino)phenyl)methylene)-, monomethyl ester
  • [(2r,3s,4r,5r)-3-[4-[[(e)-2-chloroethenyl]-methyl-amino]phenoxy]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-oxolan-2-yl]methyl dimethyl phosphate
  • [(2r,3s,4r,5r)-3-[4-[[(e)-2-chloroethenyl]-methylamino]phenoxy]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate
  • [(2r,3s,4r,5r)-3-[4-[[(e)-2-chlorovinyl]-methyl-amino]phenoxy]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl dimethyl phosphate
  • phosphoric acid [(2r,3s,4r,5r)-3-[4-[[(e)-2-chlorovinyl]-methyl-amino]phenoxy]-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl dimethyl ester
  • phosphoric acid [(2r,3s,4r,5r)-3-[4-[[(e)-2-chlorovinyl]-methylamino]phenoxy]-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-tetrahydrofuranyl]methyl dimethyl ester
  • uridine, 2',3'-o-(p-((2-chloroethyl)methylamino)benzylidene)-, 5'-(methyl hydrogenphosphate)
CAS Number(s)
  • 25878-32-4
InChIKey DTXCZURGCIFVMK-BGFFYLIWSA-N
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