(2S,3R)-3-[(2-Nitro-1H-Imidazol-1-Yl)Methoxy]-1,2,4-Butanetriol

Molecule SVG Image

Properties Simple | Detailed

Formula C8H13N3O6
IUPAC Name (2s,3r)-3-[(2-nitroimidazol-1-yl)methoxy]butane-1,2,4-triol
Molecular Mass 247.205 g·mol−1
Heat of Formation -592.4 ± 16.7 kJ·mol−1
Dipole Moment 7.08 ± 1.08 D
Volume 269.18 Å 3
Surface Area 246.58 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-3-[(2-nitro-1-imidazolyl)methoxy]butane-1,2,4-triol
  • (2s,3r)-3-[(2-nitroimidazol-1-yl)methoxy]butane-1,2,4-triol
  • d01834
  • doranidazole
  • doranidazole (jan)
  • rp 343
CAS Number(s)
  • 149838-23-3
InChIKey FIITXXIVUIXYMI-NKWVEPMBSA-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