4-Amino-1-(2-Chloro-2-Deoxy-β-D-Arabinofuranosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H12ClN3O4
IUPAC Name 4-amino-1-[(2r,3s,4r,5r)-3-chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 261.662 g·mol−1
Heat of Formation -669.3 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 273.57 Å 3
Surface Area 242.12 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chloro-2-deoxy-d-arabinofuranosyl)cytosine
  • 2(1h)-pyrimidinone, 4-amino-1-(2-chloro-2-deoxy-beta-d-arabinofuranosyl)-
  • 4-amino-1-(2-chloro-2-deoxy-.beta.-d-arabinofuranosyl)pyrimidin-2(1h)-one
  • 4-amino-1-[(2r,3s,4r,5r)-3-chloro-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,3s,4r,5r)-3-chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4r,5r)-3-chloro-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
CAS Number(s)
  • 58461-30-6
InChIKey LOZPBORRQPATRO-PXBUCIJWSA-N
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Elements H C N O Cl