(2Z)-{(1S,6R)-6-Hydroxy-8,10-Dioxo-1-[(1S,2S)-1,2,3-Trihydroxy-2-Methylpropyl]-2-Oxa-7,9-Diazabicyclo[4.2.2]Dec-5-Ylidene}Acetaldehyde

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Properties Simple | Detailed

Formula C13H18N2O8
IUPAC Name (2z)-2-[(1r,6s)-1-hydroxy-7,9-dioxo-6-[(1s,2s)-1,2,3-trihydroxy-2-methyl-propyl]-5-oxa-8,10-diazabicyclo[4.2.2]decan-2-ylidene]acetaldehyde
Molecular Mass 330.291 g·mol−1
Heat of Formation -1341.8 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 353.34 Å 3
Surface Area 292.69 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2z)-2-[(1s,6r)-6-hydroxy-8,10-diketo-1-[(1s,2s)-1,2,3-trihydroxy-2-methyl-propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decan-5-ylidene]acetaldehyde
  • (2z)-2-[(1s,6r)-6-hydroxy-8,10-dioxo-1-[(1s,2s)-1,2,3-trihydroxy-2-methyl-propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decan-5-ylidene]acetaldehyde
  • (2z)-2-[(1s,6r)-6-hydroxy-8,10-dioxo-1-[(1s,2s)-1,2,3-trihydroxy-2-methyl-propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decan-5-ylidene]ethanal
  • (2z)-2-[(1s,6r)-6-hydroxy-8,10-dioxo-1-[(1s,2s)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]decan-5-ylidene]acetaldehyde
  • 5a-formylbicyclomycin
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InChIKey OWCIDQJNPLMOMK-QQMRGYPNSA-N
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