[(8R,9R,10R,12R)-4-Formyl-6,9-Dihydroxy-14-Oxa-1,11-Diazatetracyclo[7.4.1.0~2,7~.0~10,12~]Tetradeca-2,4,6-Trien-8-Yl]Methyl Carbamate

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Properties Simple | Detailed

Formula C14H15N3O6
IUPAC Name [(8r,9r,10r,12r)-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.0 2,7 .0 10,12 ]tetradeca-2,4,6-trien-8-yl]methyl carbamate
Molecular Mass 321.285 g·mol−1
Heat of Formation -622.6 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 338.13 Å 3
Surface Area 285.16 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 3,9-epoxy-3h-azirino(2,3-c)(1)benzazocine-5-carboxaldehyde, 1,1a,2,8,9,9a-hexahydro-8-(((aminocarbonyl)oxy)methyl)-7,9-dihydroxy-
  • 3,9-epoxy-3h-azirino(2,3-c)(1)benzazocine-5-carboxaldehyde, 8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,9,9a-hexahydro-7,9-dihydroxy-
  • antibiotic fr 900482
  • fr 900482
CAS Number(s)
  • 102363-08-6
InChIKey XVPSPMLUMQEEIU-PWLJWKHCSA-N
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