[(1Ar,8R,8As,8Br)-6,8A-Dimethoxy-5-Methyl-4,7-Dioxo-1,1A,2,4,7,8,8A,8B-Octahydroazireno[2',3':3,4]Pyrrolo[1,2-A]Indol-8-Yl]Methyl Carbamate

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Properties Simple | Detailed

Formula C16H19N3O6
IUPAC Name [(4r,6r,7s,8r)-7,11-dimethoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Molecular Mass 349.339 g·mol−1
Heat of Formation -628.4 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 384.72 Å 3
Surface Area 324.18 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-6,8a-dimethoxy-5-methyl-, carbamate
  • azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-6,8a-dimethoxy-5-methyl-, carbamate (ester)
  • azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-5-methyl-, [1ar-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-
  • mitomycin a
CAS Number(s)
  • 4055-39-4
InChIKey HYFMSAFINFJTFH-VBWVXDOLSA-N
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