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

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Formula C8H14N4O4
IUPAC Name 6-amino-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
Molecular Mass 230.221 g·mol−1
Heat of Formation -671.8 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 255.14 Å 3
Surface Area 234.54 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3,6-dihydro-1,3,5-triazin-2-one
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6-dihydro-1,3,5-triazin-2-one
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,6-dihydro-1,3,5-triazin-2-one
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3,6-dihydro-s-triazin-2-one
InChIKey LAOLDMMWVYDDID-KVQBGUIXSA-N
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