(1S,6R)-6-Hydroxy-5-Methylene-1-[(1R,2S)-1,2,3-Trihydroxy-2-Methylpropyl]-2-Oxa-7,9-Diazabicyclo[4.2.2]Decane-8,10-Dione

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Properties Simple | Detailed

Formula C12H18N2O7
IUPAC Name (1r,6s)-1-hydroxy-2-methylene-6-[(1r,2s)-1,2,3-trihydroxy-2-methyl-propyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione
Molecular Mass 302.281 g·mol−1
Heat of Formation -1240.0 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 326.27 Å 3
Surface Area 273.65 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,6r)-6-hydroxy-5-methylene-1-[(1r,2s)-1,2,3-trihydroxy-2-methyl-propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione
  • (1s,6r)-6-hydroxy-5-methylene-1-[(1r,2s)-1,2,3-trihydroxy-2-methyl-propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-quinone
  • (1s,6r)-6-hydroxy-5-methylidene-1-[(1r,2s)-1,2,3-trihydroxy-2-methyl-propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione
  • (1s,6r)-6-hydroxy-5-methylidene-1-[(1r,2s)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione
InChIKey WOUDXEYYJPOSNE-IGCXTIMSSA-N
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