3-[(1R,2S,6R)-5-Oxo-7-Oxabicyclo[4.1.0]Hept-2-Yl]-L-Alanine

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Properties Simple | Detailed

Formula C9H13NO4
IUPAC Name (2s)-2-amino-3-[(1r,2s,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
Molecular Mass 199.204 g·mol−1
Heat of Formation -606.2 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 232.28 Å 3
Surface Area 216.13 Å 2
HOMO Energy -10.15 ± 0.55 eV
LUMO Energy 3.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[(1r,2s,6r)-5-keto-7-oxabicyclo[4.1.0]heptan-2-yl]propionic acid
  • (2s)-2-amino-3-[(1r,2s,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
InChIKey KHVZXXWDPSCGEK-MGVQOFIGSA-N
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