Triphosphoric Acid, Mono[[(3R,4S,5R)-3-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-4,5-Dihydroxy-1-Cyclopenten-1-Yl]Methyl] Ester

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Properties Simple | Detailed

Formula C10H16N3O13P3+
IUPAC Name [[(3r,4s,5r)-3-(4-amino-2-oxo-pyrimidin-1-yl)-4,5-dihydroxy-cyclopenten-1-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 479.168 g·mol−1
Heat of Formation -3123.0 ± 16.7 kJ·mol−1
Dipole Moment 9.10 ± 1.08 D
Volume 452.81 Å 3
Surface Area 375.13 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -2.06 ± eV
Point Group Symmetry C1
Synonyms
  • [(3r,4s,5r)-3-(4-amino-2-keto-pyrimidin-1-yl)-4,5-dihydroxy-1-cyclopentenyl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(3r,4s,5r)-3-(4-amino-2-oxo-1-pyrimidinyl)-4,5-dihydroxy-1-cyclopentenyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(3r,4s,5r)-3-(4-amino-2-oxo-pyrimidin-1-yl)-4,5-dihydroxy-1-cyclopentenyl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(3r,4s,5r)-3-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-1-cyclopentenyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • cpc tp
  • cpec-tp
  • cyclopentenyl cytosine 5'-triphosphate
  • cyclopentenylcytosine 6-triphosphate
  • triphosphoric acid, p-((3-(4-amino-2-oxo-1(2h)-pyrimidinyl)-4,5-dihydroxy-1-cyclopenten-1-yl)methyl) ester, (3r-(3alpha,4beta,5beta))-
CAS Number(s)
  • 118045-71-9
InChIKey SDWSIGMPZFNONK-VDAHYXPESA-N
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