1-[2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Erythro-Pentofuranosyl]-4-Hydrazino-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H17N4O13P3
IUPAC Name [[(2r,3s,5r)-5-(4-hydrazino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 482.172 g·mol−1
Heat of Formation -3172.0 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 450.09 Å 3
Surface Area 338.08 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.90 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxyuridine 5'-(tetrahydrogen triphosphate) 4-hydrazone
  • [(2r,3s,5r)-5-(4-hydrazino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(4-hydrazino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(4-hydrazino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(4-hydrazinyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(4-hydrazinyl-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • n(4)-amino-2'-deoxycytidine triphosphate
  • n4-aminodeoxycytidine-5'-triphosphate
  • n4-dctp
  • uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-, 4-hydrazone
CAS Number(s)
  • 90335-46-9
InChIKey OCDATUNERAESNN-SHYZEUOFSA-N
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