2,3-Dihydroxy-N-[(2R,3S)-2-(4-Nitrobenzyl)-4-Oxo-3-Oxetanyl]Benzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C17H14N2O7
IUPAC Name 2,3-dihydroxy-n-[(2r,3s)-2-[(4-nitrophenyl)methyl]-4-oxo-oxetan-3-yl]benzamide
Molecular Mass 358.302 g·mol−1
Heat of Formation -614.8 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 388.26 Å 3
Surface Area 352.39 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-dihydroxy-n-[(2r,3s)-2-[(4-nitrophenyl)methyl]-4-oxo-3-oxetanyl]benzamide
  • 2,3-dihydroxy-n-[(2r,3s)-2-[(4-nitrophenyl)methyl]-4-oxo-oxetan-3-yl]benzamide
  • 2,3-dihydroxy-n-[(2r,3s)-2-[(4-nitrophenyl)methyl]-4-oxooxetan-3-yl]benzamide
  • 2,3-dihydroxy-n-[(3s,4r)-2-keto-4-(4-nitrobenzyl)oxetan-3-yl]benzamide
  • benzamide, 2,3-dihydroxy-n-(2-((4-nitrophenyl)methyl)-4-oxo-3-oxetanyl)-, cis-
  • obafluorin
CAS Number(s)
  • 92121-68-1
InChIKey AINNQKIVZOTQBB-KGLIPLIRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N