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

Molecule SVG Image

Properties Simple | Detailed

Formula C9H12N6O4
IUPAC Name 4-amino-1-[(2r,3s,4s,5r)-3-azido-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 268.229 g·mol−1
Heat of Formation 541.4 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 291.52 Å 3
Surface Area 260.46 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 0.57 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-azido-2-deoxy-beta-d-arabinofuranosyl)cytosine
  • 4-amino-1-[(2r,3s,4s,5r)-3-azido-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,3s,4s,5r)-3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4s,5r)-3-azido-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4s,5r)-3-azido-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
  • cytarazid
CAS Number(s)
  • 67013-98-3
InChIKey FEOYKPQEERVCAV-PXBUCIJWSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O N