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

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Properties Simple | Detailed

Formula C20H24N10O13P2
IUPAC Name [(2r,3r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 4-(4-azido-2-nitro-anilino)butanoate
Molecular Mass 674.411 g·mol−1
Heat of Formation -1990.3 ± 16.7 kJ·mol−1
Dipole Moment 7.59 ± 1.08 D
Volume 695.12 Å 3
Surface Area 493.26 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(4-azido-2-nitro-phenyl)amino]butyric acid [(2r,3r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] ester
  • 4-[(4-azido-2-nitrophenyl)amino]butanoic acid [(2r,3r,4r,5r)-2-(6-amino-9-purinyl)-4-hydroxy-5-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]-3-tetrahydrofuranyl] ester
  • [(2r,3r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]oxolan-3-yl] 4-[(4-azido-2-nitro-phenyl)amino]butanoate
  • [(2r,3r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] 4-[(4-azido-2-nitro-phenyl)amino]butanoate
  • [(2r,3r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]oxolan-3-yl] 4-[(4-azido-2-nitrophenyl)amino]butanoate
  • adenosine 5'-(trihydrogen diphosphate), 2'-(4-((4-azido-2-nitrophenyl)amino)butanoate)
  • azidonitrophenylaminobutyryl-adenosine diphosphate
  • azidonitrophenylaminobutyryl-adp
CAS Number(s)
  • 76833-32-4
InChIKey JAXGYOYRJIWPSW-AEVYOOLXSA-N
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