[(1As,8S,8Ar,8Bs)-6-Amino-5-Formyl-8A-Methoxy-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 C15H16N4O6
IUPAC Name [(2s,4s,6s,7r,8s)-11-amino-12-formyl-7-methoxy-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Molecular Mass 348.311 g·mol−1
Heat of Formation -633.7 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 374.57 Å 3
Surface Area 314.51 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 6-demethyl-6-formylmitomycin c
CAS Number(s)
  • 146376-40-1
InChIKey AHFDVIVXZPCKHO-WUDYKRTCSA-N
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