8-Bromo-9-(β-L-Xylofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C10H12BrN5O4
IUPAC Name (2s,3s,4s,5s)-2-(6-amino-8-bromo-purin-9-ium-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 346.137 g·mol−1
Heat of Formation -469.8 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 315.3 Å 3
Surface Area 271.8 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5s)-2-(6-amino-8-bromo-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2s,3s,4s,5s)-2-(6-amino-8-bromo-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2s,3s,4s,5s)-2-(6-amino-8-bromo-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2s,3s,4s,5s)-2-(6-amino-8-bromo-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol
InChIKey VJUPMOPLUQHMLE-HFXAWCPLSA-N
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Elements H C O Br N