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

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Properties Simple | Detailed

Formula C9H14N4O4
IUPAC Name 4-amino-1-[(2s,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 -665.5 ± 16.7 kJ·mol−1
Dipole Moment 6.36 ± 1.08 D
Volume 265.77 Å 3
Surface Area 244.02 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5-triazin-2(1h)-one, 4-amino-1-(2-deoxy-beta-d-erythro-pentofuranosyl)-6-methyl-
  • 2'-deoxy-6-methyl-5-azacytidine
  • 2-dmac
  • 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-methyl-1,3,5-triazin-2-one
  • 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-1,3,5-triazin-2-one
  • 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-6-methyl-s-triazin-2-one
CAS Number(s)
  • 80646-65-7
InChIKey ATTRMYMZQWIZOR-XVMARJQXSA-N
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