2(1H)-Pyrimidinone, 4-Amino-1-[5-O-[Hydroxy[[Hydroxy(Phosphonooxy)Phosphinyl]Oxy]Phosphinyl]-B-D-Arabinofuranosyl]-

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Properties Simple | Detailed

Formula C9H16N3O14P3
IUPAC Name [[(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 483.156 g·mol−1
Heat of Formation -3358.1 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 451.91 Å 3
Surface Area 379.23 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 1-beta-d-arabinofuranosylcytosine triphosphate
  • 2(1h)-pyrimidinone, 4-amino-1-(5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-arabinofuranosyl)-
  • [(2r,3s,4s,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • ara-ctp
  • arabinofuranosylcytosine triphosphate
  • arabinosylcytosine 5'-triphosphate
  • arabinosylcytosine triphosphate
  • cytosine arabinoside 5'-triphosphate
  • cytosine arabinoside triphosphate
  • cytosine, 1-beta-d-arabinofuranosyl-, 5'-(tetrahydrogen triphosphate)
  • cytosine, 1-beta-d-arabinofuranosyl-, triphosphate
  • phosphoric acid tri-[(2r,3s,4s,5r)-5-(4-amino-2-oxo-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester
CAS Number(s)
  • 13191-15-6
InChIKey PCDQPRRSZKQHHS-CCXZUQQUSA-N
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