5'-O-[{[{[({4-[(2-Chloroethyl)(Methyl)Amino]Benzyl}Amino)(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Guanosine

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Properties Simple | Detailed

Formula C20H29ClN7O13P3
IUPAC Name [[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]phosphonamidic acid
Molecular Mass 703.858 g·mol−1
Heat of Formation -3006.1 ± 16.7 kJ·mol−1
Dipole Moment 9.59 ± 1.08 D
Volume 712.32 Å 3
Surface Area 477.32 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.87 ± eV
Point Group Symmetry C1
Synonyms
  • (4-n-(2-chloroethyl)-n-methylaminobenzyl)amide guanosine-5'-triphosphate
  • 4-(n-(2-chloroethyl)-n-methylaminobenzyl)-gamma-amide gtp
  • [[[(2r,3s,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-[4-(2-chloroethyl-methyl-amino)benzyl]phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-n-[[4-(2-chloroethyl-methylamino)phenyl]methyl]phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-[[4-(2-chloroethyl-methyl-amino)phenyl]methyl]phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-[[4-(2-chloroethyl-methyl-amino)phenyl]methyl]phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-n-[[4-(2-chloroethyl-methylamino)phenyl]methyl]phosphonamidic acid
  • gtp gamma-(4-n-(2-chloroethyl)-n-methylaminobenzyl)amide
CAS Number(s)
  • 83209-68-1
InChIKey CHFHOSVMLBWCON-NVQRDWNXSA-N
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