[(1As,8R,8As,8Bs)-7-Hydroxy-4,8A-Dimethoxy-5-Methyl-6-Nitroso-1,1A,2,8,8A,8B-Hexahydroazireno[2',3':3,4]Pyrrolo[1,2-A]Indol-8-Yl]Methyl Carbamate

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Properties Simple | Detailed

Formula C16H20N4O6
IUPAC Name [(1as,8r,8as,8bs)-7-hydroxy-4,8a-dimethoxy-5-methyl-6-nitroso-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
Molecular Mass 364.353 g·mol−1
Heat of Formation -525.7 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 404.61 Å 3
Surface Area 319.21 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 8-((aminocarbonyl)oxy)methyl-4,8a-dimethoxy-1,1a,2,8,8a,8b-hexahydro-7-hydroxy-5-methyl-6-nitrosoazirino(2',3'-3,4)-pyrrolo-(1,2-a)indole
  • azirino(2',3':3,4)pyrrolo(1,2-a)indole-8-methanol, 1,1a,2,8,8a,8b-hexahydro-7-hydroxy-4,8a-dimethoxy-5-methyl-6-nitroso-, alpha-carbamate, (1as-(1aalpha,8beta,8aalpha,8balpha))-
  • rm 49
  • rm-49
CAS Number(s)
  • 113785-48-1
InChIKey NVDDGNSLJMPYKZ-HHBNPUPASA-N
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