6-[(4-Nitrobenzyl)Thio]-9-B-D-Ribofuranosyl-9H-Purin-2-Amine

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Properties Simple | Detailed

Formula C17H18N6O6S
IUPAC Name (2r,3r,4s,5r)-2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 434.426 g·mol−1
Heat of Formation -366.7 ± 16.7 kJ·mol−1
Dipole Moment 8.34 ± 1.08 D
Volume 464.68 Å 3
Surface Area 412.8 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-1-c-(5-amino-7-(((4-nitrophenyl)methyl)thio)-1h-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-d-ribitol
  • (2r,3r,4s,5r)-2-[2-amino-6-[(4-nitrobenzyl)thio]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[2-amino-6-[(4-nitrophenyl)methylthio]-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • 2-amino-6-((4-nitrobenzyl)thio)-9-beta-d-ribofuranosylpurine
  • 2-amino-6-[(4-nitrobenzyl)thio]-9-beta-d-ribofuranosylpurine
  • 5-amino-7-((4-nitrobenzyl)thio)-3-(beta-d-ribofuranosyl)pyrazolo(4,3-d)pyrimidine
  • 6-(((4-nitrophenyl)methyl)thio)-9-beta-d-ribofuranosyl-9h-purin-2-amine
  • 6-(4-nitrobenzylthio)guanosine
  • 6-(p-nitrobenzylthio)guanosine
  • 7-nbtgf
  • 9h-purin-2-amine, 6-(((4-nitrophenyl)methyl)thio)-9-beta-d-ribofuranosyl- (9ci)
  • d-ribitol, 1-c-(5-amino-7-(((4-nitrophenyl)methyl)thio)-1h-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-, (1s)-
  • nitrobenzylthioguanine formycin
  • s-(4-nitrobenzyl)-6-thioguanosine
CAS Number(s)
  • 129970-97-4
InChIKey BRSNNJIJEZWSBU-XNIJJKJLSA-N
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