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

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Properties Simple | Detailed

Formula C6H9NO6
IUPAC Name [(3r,3ar,6s,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 -624.4 ± 16.7 kJ·mol−1
Dipole Moment 1.00 ± 1.08 D
Volume 195.32 Å 3
Surface Area 189.24 Å 2
HOMO Energy -10.62 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4:3,6-dianhydro-d-glucitol 2-nitrate
  • 1,4:3,6-dianhydrosorbitol 2-mononitrate
  • 2-ismn
  • [(3s,3as,6r,6ar)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] nitrate
  • bb_sc-2108
  • d-glucitol, 1,4:3,6-dianhydro-, 2-nitrate (9ci)
  • glucitol, 1,4:3,6-dianhydro-, 2-nitrate, d-
  • isosorbide 2-mononitrate
  • isosorbide 2-nitrate
  • isosorbide-2-mononitrate
  • nitric acid [(3s,3as,6r,6ar)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] ester
CAS Number(s)
  • 16106-20-0
InChIKey YWXYYJSYQOXTPL-JGWLITMVSA-N
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