1,6-Bis-O-(2-Isocyano-3-Methyl-2-Butenoyl)Hexitol

Molecule SVG Image

Properties Simple | Detailed

Formula C18H24N2O8
IUPAC Name [(2r,3r,4r,5r)-2,3,4,5-tetrahydroxy-6-(2-isocyano-3-methyl-but-2-enoyl)oxy-hexyl] 2-isocyano-3-methyl-but-2-enoate
Molecular Mass 396.392 g·mol−1
Heat of Formation -1166.2 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 477.08 Å 3
Surface Area 392.7 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-isocyano-3-methyl-but-2-enoic acid [(2r,3r,4r,5r)-2,3,4,5-tetrahydroxy-6-(2-isocyano-3-methyl-but-2-enoyl)oxy-hexyl] ester
  • 2-isocyano-3-methylbut-2-enoic acid [(2r,3r,4r,5r)-2,3,4,5-tetrahydroxy-6-(2-isocyano-3-methyl-1-oxobut-2-enoxy)hexyl] ester
  • [(2r,3r,4r,5r)-2,3,4,5-tetrahydroxy-6-(2-isocyano-3-methyl-but-2-enoyl)oxy-hexyl] 2-isocyano-3-methyl-but-2-enoate
  • [(2r,3r,4r,5r)-2,3,4,5-tetrahydroxy-6-(2-isocyano-3-methylbut-2-enoyl)oxyhexyl] 2-isocyano-3-methylbut-2-enoate
InChIKey YEMJVHOPMVQUGS-CZPYZCIJSA-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