Decitabine

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Properties Simple | Detailed

Formula C8H12N4O4+
IUPAC Name 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
Molecular Mass 228.205 g·mol−1
Heat of Formation -583.1 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 248.9 Å 3
Surface Area 232.25 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3, 5-triazin-2(1h)-one, 4-amino-1-(2-deoxy--d-erythro-pentofuranosyl)-
  • 2'-deoxy-5-azacytidine
  • 4-amino-1-(2-deoxy-beta-d-ribofuranosyl)-1,3,5-triazin-2(1h)-one
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1,3,5-triazin-2-one
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-s-triazin-2-one
  • 5-aza-2′-deoxycytidine
  • 5-aza-2′-deoxycytidine
  • 5-aza-cdr
  • 5-aza-dc
  • 5-azadc
  • 5-deoxy-2′-azacytidine
  • azadc
  • d03665
  • decitabine (usan)
  • dezocitidine
  • molmap_000063
InChIKey XAUDJQYHKZQPEU-KVQBGUIXSA-N
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