1,4:3,6-Dianhydro-2-O-Nitro-D-Mannitol

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Formula C6H9NO6
IUPAC Name [(3r,3ar,6r,6as)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Molecular Mass 191.139 g·mol−1
Heat of Formation -616.8 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 194.5 Å 3
Surface Area 183.65 Å 2
HOMO Energy -10.46 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • [(3r,3as,6r,6ar)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] nitrate
  • isoidide mononitrate
  • l-iimn
  • l-isoidide-2-mononitrate
  • nitric acid [(3r,3as,6r,6ar)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] ester
CAS Number(s)
  • 35993-37-4
  • 38709-03-4
InChIKey YWXYYJSYQOXTPL-KVTDHHQDSA-N
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