9-(6-Deoxy-α-L-Talofuranosyl)-6-Methylpurine

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Properties Simple | Detailed

Formula C12H16N4O4
IUPAC Name (2r,3s,4r,5r)-2-[(1s)-1-hydroxyethyl]-5-(6-methyl-8h-purin-9-ium-8-ylium-9-yl)tetrahydrofuran-3,4-diol
Molecular Mass 280.280 g·mol−1
Heat of Formation -516.4 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 312.06 Å 3
Surface Area 275.64 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-2-(1-hydroxyethyl)-5-(6-methyl-9-purinyl)tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(1-hydroxyethyl)-5-(6-methylpurin-9-yl)tetrahydrofuran-3,4-diol
  • tal
InChIKey XJZDIUOABWMPLZ-DSBXBFMBSA-N
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