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

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Properties Simple | Detailed

Formula C8H14N4O5
IUPAC Name 6-amino-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
Molecular Mass 246.221 g·mol−1
Heat of Formation -829.9 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 265.41 Å 3
Surface Area 241.5 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5-triazin-2(1h)-one,4-amino-3,6-dihydro-1-.beta.-d-ribofuranosyl-
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3,6-dihydro-1,3,5-triazin-2-one
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6-dihydro-1,3,5-triazin-2-one
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,6-dihydro-1,3,5-triazin-2-one
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3,6-dihydro-s-triazin-2-one
  • 4-amino-5,6-dihydro-1-beta-d-ribofuranosyl-1,3,5-triazin-2(1h)-one
  • 4-amino-5,6-dihydro-1-beta-d-ribofuranosyl-s-triazin-2(1h)-one
  • 5,6-dihydro-4-amino-1-beta-d-ribofuranosyl-s-triazin-2(1h)-one
  • 6-amino-3-beta-d-ribofuranosyl-3,4-dihydro-1,3,5-triazin-2(1h)-one
  • 62402-31-7 (hcl)
  • 62488-57-7 (free base)
  • s-triazin-2(1h)-one, 5,6-dihydro-4-amino-1-beta-d-ribofuranosyl-
InChIKey LJIRBXZDQGQUOO-KVTDHHQDSA-N
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