5'-S-(2-Aminoethyl)-N-(4-Nitrobenzyl)-5'-Thioadenosine

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Properties Simple | Detailed

Formula C19H23N7O5S
IUPAC Name (2s,3s,4r,5r)-2-(2-aminoethylsulfanylmethyl)-5-[6-[(4-nitrophenyl)methylamino]purine-1,3,7-triium-9-yl]tetrahydrofuran-3,4-diol
Molecular Mass 461.495 g·mol−1
Heat of Formation -177.7 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 512.33 Å 3
Surface Area 451.47 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r)-2-(2-aminoethylsulfanylmethyl)-5-[6-[(4-nitrophenyl)methylamino]purin-9-yl]oxolane-3,4-diol
  • (2s,3s,4r,5r)-2-(2-aminoethylsulfanylmethyl)-5-[6-[(4-nitrophenyl)methylamino]purin-9-yl]tetrahydrofuran-3,4-diol
  • (2s,3s,4r,5r)-2-[(2-aminoethylthio)methyl]-5-[6-[(4-nitrobenzyl)amino]purin-9-yl]tetrahydrofuran-3,4-diol
  • (2s,3s,4r,5r)-2-[(2-aminoethylthio)methyl]-5-[6-[(4-nitrophenyl)methylamino]-9-purinyl]tetrahydrofuran-3,4-diol
  • 5'-s-(2-aminoethyl)-n(6)-(4-nitrobenzyl)-5'-thioadenosine
  • adenosine, 5'-s-(2-aminoethyl)-n-((4-nitrophenyl)methyl)-5'-thio-
  • saenta
CAS Number(s)
  • 130117-76-9
InChIKey OAFPVFZXWPVEBS-NVQRDWNXSA-N
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