2'-O-(4-Azido-2-Nitrobenzoyl)Adenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C17H21N9O16P3
IUPAC Name [[[(2r,3r,4r,5r)-4-(4-azido-2-nitro-benzene-3,5,6-triide-1-carbonyl)oxy-5-(6-λ1-azanylpurin-9-yl)-3-oxido-tetrahydrofuran-2-id-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
Molecular Mass 700.321 g·mol−1
Heat of Formation -2725.8 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 674.73 Å 3
Surface Area 542.58 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.78 ± eV
Point Group Symmetry C1
Synonyms
  • 3'(2')-o-(2-nitro-4-azidobenzoyl)adenosine 5'-triphosphate
  • 4-azido-2-nitro-benzoic acid [(2r,3r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester
  • 4-azido-2-nitrobenzoic acid [(2r,3r,4r,5r)-2-(6-amino-9-purinyl)-4-hydroxy-5-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]-3-tetrahydrofuranyl] ester
  • [(2r,3r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]oxolan-3-yl] 4-azido-2-nitro-benzoate
  • [(2r,3r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 4-azido-2-nitro-benzoate
  • [(2r,3r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-azido-2-nitrobenzoate
  • nab-atp
CAS Number(s)
  • 99308-34-6
InChIKey RGFOXGDHNBVDMY-XNIJJKJLSA-N
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