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

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Formula C8H12N4O4+
IUPAC Name 4-amino-1-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
Molecular Mass 228.205 g·mol−1
Heat of Formation -587.2 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 246.48 Å 3
Surface Area 229.93 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
InChIKey XAUDJQYHKZQPEU-HSUXUTPPSA-N
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