3'-O-{4-[(4-Azido-2-Nitrophenyl)Amino]Butanoyl}Adenosine 5'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C20H24N10O13P2
IUPAC Name [[(2r,3s,4r,5r)-3-[4-(4-azido-2-nitro-benzene-3,5,6-triid-1-yl)azanidylbutanoyloxy]-4-hydroxy-5-(6-λ1-azanylpurin-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate
Molecular Mass 674.411 g·mol−1
Heat of Formation -2043.6 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 679.35 Å 3
Surface Area 470.22 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-o-(4(n-(4-azido-2-nitrophenyl)amino)butyryl)adenosine 5'-diphosphate
  • 4-[(4-azido-2-nitro-phenyl)amino]butyric acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] ester
  • 4-[(4-azido-2-nitrophenyl)amino]butanoic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]-3-tetrahydrofuranyl] ester
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]oxolan-3-yl] 4-[(4-azido-2-nitro-phenyl)amino]butanoate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] 4-[(4-azido-2-nitro-phenyl)amino]butanoate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]oxolan-3-yl] 4-[(4-azido-2-nitrophenyl)amino]butanoate
  • adenosine 5'-(trihydrogen diphosphate) 3'-(4-((4-azido-2-nitrophenyl)amino)butanoate)
  • anp-adp
  • nap(4)-adp
CAS Number(s)
  • 64655-48-7
InChIKey YTAVNNUJTVNNFN-AEVYOOLXSA-N
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