4-Amino-1-(5-Chloro-5-Deoxy-β-D-Arabinofuranosyl)-2(1H)-Pyrimidinone

Molecule SVG Image

Properties Simple | Detailed

Formula C9H12ClN3O4
IUPAC Name 4-amino-1-[(2r,3s,4s,5s)-5-(chloromethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 261.662 g·mol−1
Heat of Formation -667.0 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 273.55 Å 3
Surface Area 243.49 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyrimidinone, 4-amino-1-(5-chloro-5-deoxy-beta-d-arabinofuranosyl)-
  • 4-amino-1-[(2r,3s,4s,5s)-5-(chloromethyl)-3,4-dihydroxy-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,3s,4s,5s)-5-(chloromethyl)-3,4-dihydroxy-oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4s,5s)-5-(chloromethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4s,5s)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
  • 5'-chloro-5'-deoxyarabinosylcytosine
  • 5'-chloroarabinosylcytosine
InChIKey BPGIZMWGUQVFSE-CCXZUQQUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl