3'-C-(4-Azidobenzoyl)Guanosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C17H19N8O15P3
IUPAC Name [[[(2r,3s,4r,5r)-5-[(z)-aminomethyleneamino]-3-formyl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate; ammonia; triazane; hydrate
Molecular Mass 668.299 g·mol−1
Heat of Formation -2860.8 ± 16.7 kJ·mol−1
Dipole Moment 10.08 ± 1.08 D
Volume 646.89 Å 3
Surface Area 489.04 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -2.05 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-(4-azidobenzoyl)guanosine triphosphate
  • 3'-(p-azidobenzoyl)-gtp
  • [(2r,3s,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3-(4-azidobenzoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-(4-azidobenzoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-(4-azidobenzoyl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-(4-azidophenyl)carbonyl-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-[(4-azidophenyl)-oxomethyl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
CAS Number(s)
  • 84433-07-8
InChIKey SCTZTRHNDRIJBS-JOGDPCBZSA-N
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