4-Amino-1-(2-Deoxy-2,2-Difluoro-β-L-Erythro-Pentofuranosyl)-2(1H)-Pyrimidinone

Molecule SVG Image

Properties Simple | Detailed

Formula C9H11F2N3O4
IUPAC Name 3-[(z)-[3,3-difluoro-4-oxo-5-(oxomethylene)tetrahydrofuran-2-ylidene]amino]prop-2-ynimidoyl isocyanate
Molecular Mass 263.198 g·mol−1
Heat of Formation -1009.8 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 269.48 Å 3
Surface Area 244.79 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-deoxy-2,2-difluoro-.beta.-l-erythro-pentofuranos-1-yl)cytosine
  • 4-amino-1-[(2s,4s,5s)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2s,4s,5s)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2s,4s,5s)-3,3-difluoro-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
InChIKey SDUQYLNIPVEERB-QTSITTDLSA-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 F