Triphosphoric Acid, Mono[(2R,3S)-3-(2-Amino-1,4-Dihydro-4-Oxo-6-Pteridinyl)-2,3-Dihydroxypropyl] Ester

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Formula C9H14N5O13P3
IUPAC Name [[(2r,3s)-3-(2-amino-4-oxo-1h-pteridin-6-yl)-2,3-dihydroxy-propoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 493.154 g·mol−1
Heat of Formation -3035.5 ± 16.7 kJ·mol−1
Dipole Moment 8.45 ± 1.08 D
Volume 455.77 Å 3
Surface Area 350.05 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s)-3-(2-amino-4-keto-1h-pteridin-6-yl)-2,3-dihydroxy-propyl] (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s)-3-(2-amino-4-oxo-1h-pteridin-6-yl)-2,3-dihydroxy-propyl] (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s)-3-(2-amino-4-oxo-1h-pteridin-6-yl)-2,3-dihydroxypropyl] (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • d-3'-ntp
  • neopterin-3'-triphosphate
  • triphosphoric acid, p-(3-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2,3-dihydroxypropyl) ester, (s-(r*,s*))-
CAS Number(s)
  • 35300-26-6
InChIKey IYHSQHAHJGLHJH-XINAWCOVSA-N
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