1-Phenyl-2-[(1S,2R,5R,8R,8Ar)-1,2,8-Trihydroxyoctahydro-5-Indolizinyl]Ethanone

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Formula C16H21NO4
IUPAC Name 2-[(1s,2r,4s,5r,8r,8ar)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]-1-phenyl-ethanone
Molecular Mass 291.342 g·mol−1
Heat of Formation -643.6 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 348.12 Å 3
Surface Area 302.77 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]-1-phenyl-ethanone
  • 2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]-1-phenylethanone
  • 2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyindolizidin-5-yl]-1-phenyl-ethanone
InChIKey HEBIMHSFXQMUTK-CCECPURYSA-N
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