N-(6-Aminohexyl)Cytidine 5'-(Tetrahydrogen Triphosphate)

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Formula C15H30N4O14P3+
IUPAC Name [[(2r,3s,4r,5r)-5-[4-(6-aminohexylamino)-2-oxo-1h-pyrimidin-1-ium-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 583.338 g·mol−1
Heat of Formation -3461.4 ± 16.7 kJ·mol−1
Dipole Moment 11.90 ± 1.08 D
Volume 596.26 Å 3
Surface Area 518.38 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-[4-(6-aminohexylamino)-2-keto-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[4-(6-aminohexylamino)-2-oxo-1-pyrimidinyl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[4-(6-aminohexylamino)-2-oxo-pyrimidin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[4-(6-aminohexylamino)-2-oxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • ahctp
  • n(4)-(6-aminohexyl)cytidine 5'-triphosphate
CAS Number(s)
  • 123354-89-2
InChIKey NJPVHOPQAANYKF-FMKGYKFTSA-N
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