2-Hydroxy-N-[(1R,2S,6R)-2-Hydroxy-6-(Hydroxymethyl)-5-Oxo-7-Oxabicyclo[4.1.0]Hept-3-En-3-Yl]Benzamide

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Formula C14H13NO6
IUPAC Name 2-hydroxy-n-[(1r,2s,6r)-2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
Molecular Mass 291.256 g·mol−1
Heat of Formation -732.8 ± 16.7 kJ·mol−1
Dipole Moment 7.40 ± 1.08 D
Volume 316.52 Å 3
Surface Area 291.16 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-n-[(1r,5s,6r)-5-hydroxy-1-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-4-yl]benzamide
  • 2-hydroxy-n-[(1r,5s,6r)-5-hydroxy-2-keto-1-methylol-7-oxabicyclo[4.1.0]hept-3-en-4-yl]benzamide
  • benzamide, 2-hydroxy-n-(2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo(4.1.0)hept-3-en-3-yl)-, (1r-(1-alpha,2-alpha,6-alpha))-
  • epoxyquinomicin c
CAS Number(s)
  • 200496-85-1
InChIKey JNDISHBDOZQLTR-SCRDCRAPSA-N
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