N-(1,3-Bis{[4,5,6-Trihydroxy-2-(Hydroxymethyl)Tetrahydro-2H-Pyran-3-Yl]Oxy}-2-Propanyl)-4-[3-(Trifluoromethyl)-3H-Diaziren-3-Yl]Benzamide

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Properties Simple | Detailed

Formula C24H7F3N3O13
IUPAC Name 3-[[(6s)-7-[5-(difluoromethyl)-6-(1-fluoro-2-oxo-vinyl)-3,4-diaza-9-azoniabicyclo[5.2.0]nona-1(9),4,6,8-tetraen-8-yl]-2,3,4-trioxo-8-(oxomethylene)-6,7-dihydropyrano[3,2-b]pyran-6-yl]oxy]-4,5,6-trioxo-pyran-2-carbaldehyde
Molecular Mass 602.320 g·mol−1
Heat of Formation -690.8 ± 16.7 kJ·mol−1
Dipole Moment 6.26 ± 1.08 D
Volume 532.77 Å 3
Surface Area 435.16 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -2.83 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[3-(trifluoromethyl)-3-diazirinyl]-n-[2-[[4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-1-[[4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxymethyl]ethyl]benzamide
  • 4-[3-(trifluoromethyl)diazirin-3-yl]-n-[2-(4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl)oxy-1-[(4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl)oxymethyl]ethyl]benzamide
  • 4-[3-(trifluoromethyl)diazirin-3-yl]-n-[2-[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-1-[[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxymethyl]ethyl]benzamide
  • n-[1,3-bis[[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy]propan-2-yl]-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzamide
InChIKey NPJHSWNPVIJJGQ-UHFFFAOYSA-N
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