1,4:3,6-Dianhydro-2-Deoxy-2-((3-(1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxopurin-7-Yl)Propyl)Amino)-L-Iditol 5-Nitrate

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Properties Simple | Detailed

Formula C16H22N6O7
IUPAC Name [(3s,3ar,6s,6as)-3-[3-(1,3-dimethyl-2,6-dioxo-purin-9-ium-5-id-7-yl)propylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Molecular Mass 410.382 g·mol−1
Heat of Formation -611.2 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 457.74 Å 3
Surface Area 399.23 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,3ar,6s,6as)-3-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propylamino]-2,3,3a,5,6,6a-hexahydrofuro[4,5-b]furan-6-yl] nitrate
  • [(3s,3ar,6s,6as)-3-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propylamino]-2,3,3a,5,6,6a-hexahydrofuro[4,5-b]furan-6-yl] nitrate
  • nitric acid [(3s,3ar,6s,6as)-3-[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propylamino]-2,3,3a,5,6,6a-hexahydrofuro[4,5-b]furan-6-yl] ester
  • nitric acid [(3s,3ar,6s,6as)-3-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propylamino]-2,3,3a,5,6,6a-hexahydrofuro[4,5-b]furan-6-yl] ester
  • teopranitol
CAS Number(s)
  • 81792-35-0
InChIKey XTEGRRHNMFDROI-YRRQLQLVSA-N
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