(2S,3R,4S,4Ar,11Br)-2,3,4,7-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 (2s,3r,4s,4ar,11br)-2,3,4,7-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 -1115.7 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 319.52 Å 3
Surface Area 278.55 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (1,3)dioxolo(4,5-j)phenanthridin-6(2h)-one, 1,3,4,4a,5,11b-hexahydro-2,3,4,7-tetrahydroxy-, (2s-(2alpha,3beta,4beta,4abeta, 11balpha))-
  • [1,3]dioxolo[4,5-j]phenanthridin-6(2h)-one, 1,3,4,4a,5,11b-hexahydro-2,3,4,7-tetrahydroxy-, (2s,3r,4s,4ar,11br)-
InChIKey SBTGHBALOCEVOR-PUZXQUAOSA-N
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