3'-O-[3-(4-Azido-2-Nitrophenyl)Propanoyl]Adenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C19H25N9O16P3
IUPAC Name [[[(2r,3s,4r,5r)-3-[3-(4-azido-2-nitro-benzene-3,5,6-triid-1-yl)propanoyloxy]-5-(6-λ1-azanylpurin-9-yl)-4-oxido-tetrahydrofuran-5-id-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
Molecular Mass 728.374 g·mol−1
Heat of Formation -2799.4 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 718.52 Å 3
Surface Area 594.82 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-o-(3-(2-nitro-4-azidophenyl)propionyl)adenosine triphosphate
  • 3-(4-azido-2-nitro-phenyl)propionic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester
  • 3-(4-azido-2-nitrophenyl)propanoic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]-3-tetrahydrofuranyl] ester
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]oxolan-3-yl] 3-(4-azido-2-nitro-phenyl)propanoate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 3-(4-azido-2-nitro-phenyl)propanoate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] 3-(4-azido-2-nitrophenyl)propanoate
  • adenosine 5'-(tetrahydrogen triphosphate), 3'-(4-azido-2-nitrobenzenepropanoate)
  • n(3)-atp
CAS Number(s)
  • 80220-04-8
InChIKey NZSMCVVLVBHMRL-BGIGGGFGSA-N
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