4-Amino-1-(2-O-Nitro-β-D-Arabinofuranosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H12N4O7
IUPAC Name [(2r,3s,4r,5r)-2-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] nitrate
Molecular Mass 288.214 g·mol−1
Heat of Formation -715.1 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 298.74 Å 3
Surface Area 262.39 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-o-nitro-beta-d-arabinofuranosyl)cytosine
  • 2(1h)-pyrimidinone, 4-amino-1-(2-o-nitro-beta-d-arabinofuranosyl)-
  • [(2r,3s,4r,5r)-2-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] nitrate
  • [(2r,3s,4r,5r)-2-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] nitrate
  • nitrara-c
  • nitric acid [(2r,3s,4r,5r)-2-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] ester
  • nitric acid [(2r,3s,4r,5r)-2-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)-3-tetrahydrofuranyl] ester
CAS Number(s)
  • 83831-64-5
InChIKey JOHUQOHTIZCLLJ-CCXZUQQUSA-N
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