5-Amino-2-Methyl-1-(β-D-Ribofuranosyl)-1,2-Dihydro-3H-1,2,4-Triazol-3-One

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Formula C8H14N4O5
IUPAC Name 5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methyl-1,2,4-triazol-3-one
Molecular Mass 246.221 g·mol−1
Heat of Formation -714.8 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 263.5 Å 3
Surface Area 229.3 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • 5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-methyl-1,2,4-triazol-3-one
  • 5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1,2,4-triazol-3-one
  • 5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methyl-1,2,4-triazol-3-one
  • 5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2-methyl-1,2,4-triazol-3-one
InChIKey FKBALWNUOIANTQ-KVTDHHQDSA-N
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