(1R,2S,3S,4S,4Ar,11Br)-1,2,3,4-Tetrahydroxy-1,3,4,4A,5,11B-Hexahydro[1,3]Dioxolo[4,5-J]Phenanthridin-6(2H)-One

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Formula C14H15NO7
IUPAC Name (1r,2s,3s,4s,4ar,11br)-1,2,3,4-tetrahydroxy-2,3,4,4a,5,11b-hexahydro-1h-[1,3]dioxolo[4,5-j]phenanthridin-6-one
Molecular Mass 309.271 g·mol−1
Heat of Formation -1109.1 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 319.51 Å 3
Surface Area 275.75 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 7-deoxypancratistatin
InChIKey GVGWJJOWWDRYOF-DZDPUUJWSA-N
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