4-Amino-1-(2-Deoxy-5-O-Phosphono-β-D-Erythro-Pentofuranosyl)-1,3,5-Triazin-2(1H)-One

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Properties Simple | Detailed

Formula C8H13N4O7P
IUPAC Name [(2r,3s,5r)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 308.185 g·mol−1
Heat of Formation -1470.3 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 309.08 Å 3
Surface Area 268.37 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5-triazin-2(1h)-one, 4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-
  • 5-aza-2'-deoxycytidine-5'-monophosphate
  • 5-aza-dcmp
  • [(2r,3s,5r)-5-(4-amino-2-keto-s-triazin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 66642-55-5
InChIKey JQHZISUSXMJEPR-KVQBGUIXSA-N
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