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

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Properties Simple | Detailed

Formula C10H25N6O13P3
IUPAC Name [[[(2r,3s,4r,5r)-5-[4-amino-5-(n-methylcarbamimidoyl)-2,4-dihydroimidazol-3-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate; ammonia
Molecular Mass 530.259 g·mol−1
Heat of Formation -3121.8 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 623.28 Å 3
Surface Area 537.21 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-[6-(6-aminohexylamino)-9-purinyl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[6-(6-aminohexylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[6-(6-aminohexylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[6-(6-aminohexylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • adenosine, 5'-(tetrahydrogen triphosphate), n-(6-aminohexyl)-
  • ah-atp
  • n(6)-aminohexyl-adenosine triphosphate
  • n(6)-aminohexyl-atp
  • n(6)-aminohexyladenosine triphosphate
CAS Number(s)
  • 53602-93-0
InChIKey OTYCIBMYFBOSMG-XNIJJKJLSA-N
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