S-(2-Hydroxy-5-Nitrobenzyl)-6-Thioguanosine

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Properties Simple | Detailed

Formula C17H18N6O7S
IUPAC Name (2r,3r,4s,5r)-2-[2-amino-6-[(2-hydroxy-5-nitro-phenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 450.426 g·mol−1
Heat of Formation -597.0 ± 16.7 kJ·mol−1
Dipole Moment 9.09 ± 1.08 D
Volume 469.61 Å 3
Surface Area 404.87 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[2-amino-6-[(2-hydroxy-5-nitro-benzyl)thio]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[2-amino-6-[(2-hydroxy-5-nitro-phenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[2-amino-6-[(2-hydroxy-5-nitro-phenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[2-amino-6-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[2-amino-6-[(2-hydroxy-5-nitrophenyl)methylthio]-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • 2-hydroxy-5-nitrobenzyl-6-thioguanosine
  • 2-hydroxy-5-nitrobenzylthioguanosine
  • hnbtg
  • hydroxynitrobenzoylthioguanosine
  • pdsp1_001013
  • pdsp2_000997
  • phenol, 2-(((2-amino-9-beta-d-ribofuranosyl-9h-purin-6-yl)thio)methyl)-4-nitro-
CAS Number(s)
  • 41094-07-9
InChIKey JXIKYSYYTDTHBG-XNIJJKJLSA-N
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