4-Amino-1-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-1,3,5-Triazin-2(1H)-One

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Properties Simple | Detailed

Formula C8H12N4O4
IUPAC Name 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
Molecular Mass 228.205 g·mol−1
Heat of Formation -610.1 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 248.15 Å 3
Surface Area 231.37 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1,3,5-triazin-2-one
  • 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one
  • 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-s-triazin-2-one
  • hsci1_000350
InChIKey XAUDJQYHKZQPEU-JKUQZMGJSA-N
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