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

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Formula C9H14N4O4
IUPAC Name 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-1,3,5-triazin-2-one
Molecular Mass 242.232 g·mol−1
Heat of Formation -650.1 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 265.6 Å 3
Surface Area 237.45 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-methyl-1,3,5-triazin-2-one
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-1,3,5-triazin-2-one
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-6-methyl-s-triazin-2-one
InChIKey ATTRMYMZQWIZOR-RRKCRQDMSA-N
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