2'-Deoxycytidine 5'-(Tetrahydrogen Triphosphate) 3'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C9H18N3O19P5
IUPAC Name [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
Molecular Mass 627.117 g·mol−1
Heat of Formation -4935.1 ± 16.7 kJ·mol−1
Dipole Moment 10.98 ± 1.08 D
Volume 565.05 Å 3
Surface Area 461.71 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]-3-tetrahydrofuranyl] phosphono hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
  • deoxycytidine-5'-tri-3'-diphosphate
CAS Number(s)
  • 73898-16-5
InChIKey BRBXPDOLAZFLHD-SHYZEUOFSA-N
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