N-(4-Butylphenyl)-2'-Deoxyguanosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C14H11N5O13P3
IUPAC Name [2-[3-hydroxy-1-(2-methylidyneammonio-6-oxo-8h-purine-1,3-diium-9-yl)prop-2-ynoxy]ethynoxy-oxido-phosphoryl] (3-oxo-1,2,3λ5-dioxaphosphiran-3-yl) phosphate; prop-1-yne
Molecular Mass 550.184 g·mol−1
Heat of Formation -3031.8 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 657.17 Å 3
Surface Area 563.99 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-[2-[(4-butylphenyl)amino]-6-keto-3h-purin-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[2-[(4-butylphenyl)amino]-6-oxo-3h-purin-9-yl]-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[2-[(4-butylphenyl)amino]-6-oxo-3h-purin-9-yl]-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[2-[(4-butylphenyl)amino]-6-oxo-3h-purin-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[2-[(4-butylphenyl)amino]-6-oxo-3h-purin-9-yl]-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • bupdgtp
  • butylphenyl dgtp
  • guanosine 5'-(tetrahydrogen triphosphate), n-(4-butylphenyl)-2'-deoxy-
  • n(2)-(4-n-butylphenyl)-2'-deoxyguanosine 5'-triphosphate
  • n(2)-(4-n-butylphenyl)-2'-deoxyguanosine-5'-triphosphate
  • nbpdgt
CAS Number(s)
  • 87782-05-6
InChIKey JLKDXNDMDDENMB-ARFHVFGLSA-N
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