[(1R,2S)-2,7-Diamino-1-Hydroxy-6-Methyl-5,8-Dioxo-2,3,5,8-Tetrahydro-1H-Pyrrolo[1,2-A]Indol-9-Yl]Methyl Carbamate

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Properties Simple | Detailed

Formula C14H16N4O5
IUPAC Name [(2s,3s)-2,6-diamino-3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1h-pyrrolo[1,2-a]indol-9-ium-3a-ylium-4-yl]methyl carbamate
Molecular Mass 320.301 g·mol−1
Heat of Formation -668.0 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 348.46 Å 3
Surface Area 306.18 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hydroxy-2,7-diaminomitosene
  • 1h-pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, trans-
  • [(2s,3r)-2,6-diamino-3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1h-pyrrolo[1,2-a]indol-4-yl]methyl carbamate
  • carbamic acid [(2s,3r)-2,6-diamino-3-hydroxy-5,8-diketo-7-methyl-2,3-dihydro-1h-pyrrolo[1,2-a]indol-4-yl]methyl ester
  • carbamic acid [(2s,3r)-2,6-diamino-3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1h-pyrrolo[1,2-a]indol-4-yl]methyl ester
CAS Number(s)
  • 78655-52-4
InChIKey XNHZZRIKMUCTHU-PWCHPLFNSA-N
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