(3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-Methyl-3-(3-Methyl-2-Buten-1-Yl)-2-Oxiranyl]-1-Oxaspiro[2.5]Oct-6-Yl [(2R)-1-Amino-3-Methyl-1-Oxo-2-Butanyl]Carbamate

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Properties Simple | Detailed

Formula C22H36N2O6
IUPAC Name [(3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] n-[(1r)-1-carbamoyl-2-methyl-propyl]carbamate
Molecular Mass 424.531 g·mol−1
Heat of Formation -976.5 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 540.89 Å 3
Surface Area 438.47 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
Synonyms
  • [(3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] n-[(1r)-1-carbamoyl-2-methyl-propyl]carbamate
  • [(3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] n-[(2r)-1-amino-3-methyl-1-oxo-butan-2-yl]carbamate
  • [(3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] n-[(2r)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
  • metapro
  • n-[(1r)-1-carbamoyl-2-methyl-propyl]carbamic acid [(3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] ester
  • n-[(1r)-1-carbamoyl-2-methylpropyl]carbamic acid [(3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-yl] ester
  • ppi-2458
InChIKey QBDVVYNLLXGUGN-XGTBZJOHSA-N
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