[(1S,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-4a-id-4-yl]methyl carbamate
Molecular Mass 320.301 g·mol−1
Heat of Formation -669.0 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 351.24 Å 3
Surface Area 313.1 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-cis-1-hydroxy-2,7-diamino-mitosene
  • [(2s,3s)-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 2,6-diamino-1-hydroxy-5-methyl-4,7-dioxo-2,3,4,7-tetrahydro-1h-3a-aza-cyclopenta[a]inden-8-ylmethyl ester
  • carbamic acid [(2s,3s)-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,3s)-2,6-diamino-3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1h-pyrrolo[1,2-a]indol-4-yl]methyl ester
InChIKey XNHZZRIKMUCTHU-QTTZVWFDSA-N
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