4-(Dimethylamino)-1-(β-D-Ribofuranosyl)-1,3,5-Triazin-2(1H)-One

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Properties Simple | Detailed

Formula C10H16N4O5+
IUPAC Name 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-dimethylamino-1,3,5-triazin-2-one
Molecular Mass 272.258 g·mol−1
Heat of Formation -762.4 ± 16.7 kJ·mol−1
Dipole Moment 6.31 ± 1.08 D
Volume 298.55 Å 3
Surface Area 272.13 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5-triazin-2(1h)-one, 4-(dimethylamino)-1-beta-d-ribofuranosyl-
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-dimethylamino-1,3,5-triazin-2-one
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-dimethylamino-1,3,5-triazin-2-one
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4-dimethylamino-s-triazin-2-one
  • 4-(dimethylamino)-1-beta-d-ribofuranosyl-1,3,5-triazin-2(1h)-one
  • n(4),n(4)-dimethyl-5-azacytidine
  • n(sup 4),n(sup 4)-dimethyl-5-azacytidine
CAS Number(s)
  • 27826-77-3
InChIKey NZHIQLMXOZSBEU-WCTZXXKLSA-N
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