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

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Properties Simple | Detailed

Formula C8H13N3O6
IUPAC Name (2r,3s)-3-[(2-nitroimidazol-1-yl)methoxy]butane-1,2,4-triol
Molecular Mass 247.205 g·mol−1
Heat of Formation -570.3 ± 16.7 kJ·mol−1
Dipole Moment 7.15 ± 1.08 D
Volume 269.64 Å 3
Surface Area 248.73 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-3-[(2-nitro-1-imidazolyl)methoxy]butane-1,2,4-triol
  • (2r,3s)-3-[(2-nitroimidazol-1-yl)methoxy]butane-1,2,4-triol
  • 1,2,4-butanetriol, 3-((2-nitro-1h-imidazol-1-yl)methoxy)-, (r*,s*)-
  • 1-((2',3'-dihydroxy-1'-hydroxymethyl)propoxy)methyl-2-nitroimidazole
  • 3-((2-nitro-1h-imidazol-1-yl)methoxy)-1,2,4-butanetriol (r*,s*)-
  • pr 350
CAS Number(s)
  • 161903-11-3
InChIKey FIITXXIVUIXYMI-RQJHMYQMSA-N
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