Methyl (8S)-4-Hydroxy-6-(1H-Indol-2-Ylcarbonyl)-8-Methyl-3,6,7,8-Tetrahydropyrrolo[3,2-E]Indole-2-Carboxylate

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Properties Simple | Detailed

Formula C22H19N3O4
IUPAC Name methyl (8s)-4-hydroxy-6-(4h-indol-1-ium-4-ide-2-carbonyl)-8-methyl-7,8-dihydro-5h-pyrrolo[3,2-e]indol-3-ium-5-ide-2-carboxylate
Molecular Mass 389.404 g·mol−1
Heat of Formation -329.0 ± 16.7 kJ·mol−1
Dipole Moment 0.97 ± 1.08 D
Volume 436.8 Å 3
Surface Area 391.77 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • (+)duocarmycin sa-indole
  • (8s)-4-hydroxy-6-(1h-indol-2-yl-oxomethyl)-8-methyl-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carboxylic acid methyl ester
  • (8s)-4-hydroxy-6-(1h-indole-2-carbonyl)-8-methyl-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carboxylic acid methyl ester
  • 4-hydroxy-6-(1h-indole-2-carbonyl)-8-methyl-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester
  • dsi
  • methyl (8s)-4-hydroxy-6-(1h-indol-2-ylcarbonyl)-8-methyl-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carboxylate
  • methyl (8s)-4-hydroxy-6-(1h-indole-2-carbonyl)-8-methyl-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carboxylate
InChIKey SVXVQSGKGYZESS-LLVKDONJSA-N
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