1,4:3,6-Dianhydro-2-Deoxy-2-(4-(3-(Phenylthio)Propyl)-1-Piperazinyl)-L-Iditol 5-Nitrate

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Properties Simple | Detailed

Formula C19H27N3O5S
IUPAC Name [(3s,3ar,6s,6as)-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Molecular Mass 409.500 g·mol−1
Heat of Formation -293.6 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 480.35 Å 3
Surface Area 421.14 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 5-deoxy-5-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-l-iditol 2-nitrate dihydrochloride
  • [(3s,3ar,6s,6as)-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[4,5-b]furan-6-yl] nitrate
  • dptpp-2-ismn
  • kf 14124
  • kf-14124
  • l-iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(phenylthio)propyl)-1-piperazinyl)-, 5-nitrate
  • nitric acid [(3s,3ar,6s,6as)-3-[4-[3-(phenylthio)propyl]-1-piperazinyl]-2,3,3a,5,6,6a-hexahydrofuro[4,5-b]furan-6-yl] ester
  • nitric acid [(3s,3ar,6s,6as)-3-[4-[3-(phenylthio)propyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[4,5-b]furan-6-yl] ester
CAS Number(s)
  • 134186-26-8
InChIKey IHHFECHILHHROD-INDMIFKZSA-N
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