8-Azido-3'-O-(5-Azido-2-Nitrobenzoyl)Adenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C17H17N12O16P3
IUPAC Name [[[(2r,3s,4r,5r)-5-[6-amino-8-(iminoiminioamino)-2h-purin-7-ium-9-yl]-4-hydroxy-3-[5-(iminoiminioamino)-2-nitro-benzoyl]oxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
Molecular Mass 738.309 g·mol−1
Heat of Formation -2392.4 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 710.62 Å 3
Surface Area 536.78 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 5-azido-2-nitro-benzoic acid [(2r,3s,4r,5r)-5-(6-amino-8-azido-purin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester
  • 5-azido-2-nitrobenzoic acid [(2r,3s,4r,5r)-5-(6-amino-8-azido-9-purinyl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]-3-tetrahydrofuranyl] ester
  • 5-azido-2-nitrobenzoyl-8-azido atp
  • [(2r,3s,4r,5r)-5-(6-amino-8-azido-purin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]oxolan-3-yl] 5-azido-2-nitro-benzoate
  • [(2r,3s,4r,5r)-5-(6-amino-8-azido-purin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 5-azido-2-nitro-benzoate
  • [(2r,3s,4r,5r)-5-(6-amino-8-azidopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] 5-azido-2-nitrobenzoate
  • anb-8-n3-atp
CAS Number(s)
  • 129391-97-5
InChIKey WQKDGRLVQXNEBZ-SDBHATRESA-N
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