N-(6-Aminohexyl)-2'-Deoxycytidine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C15H29N4O13P3
IUPAC Name [[(2r,3s,5r)-5-[4-(6-aminohexylamino)-2-oxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 566.331 g·mol−1
Heat of Formation -3298.9 ± 16.7 kJ·mol−1
Dipole Moment 11.31 ± 1.08 D
Volume 582.6 Å 3
Surface Area 508.27 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-[4-(6-aminohexylamino)-2-keto-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[4-(6-aminohexylamino)-2-oxo-1-pyrimidinyl]-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[4-(6-aminohexylamino)-2-oxo-pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[4-(6-aminohexylamino)-2-oxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[4-(6-aminohexylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • dahctp
  • n(4)-(6-aminohexyl)deoxycytidine 5'-triphosphate
CAS Number(s)
  • 110537-14-9
InChIKey HGJARKVELPNKKU-OUCADQQQSA-N
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