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

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Properties Simple | Detailed

Formula C9H16N3O13P3
IUPAC Name [[(2s,3r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 467.157 g·mol−1
Heat of Formation -3221.1 ± 16.7 kJ·mol−1
Dipole Moment 1.05 ± 1.08 D
Volume 438.23 Å 3
Surface Area 369.76 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-l-2'-deoxycytidine 5'-triphosphate
  • [(2s,3r,5s)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2s,3r,5s)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2s,3r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2s,3r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • l-dctp
InChIKey RGWHQCVHVJXOKC-CHKWXVPMSA-N
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