(1S,5S,6S)-3-Amino-5-Hydroxy-7-Oxabicyclo[4.1.0]Hept-3-En-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C6H7NO3
IUPAC Name (1s,2s,6s)-4-amino-2-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-5-one
Molecular Mass 141.125 g·mol−1
Heat of Formation -288.2 ± 16.7 kJ·mol−1
Dipole Moment 1.29 ± 1.08 D
Volume 154.67 Å 3
Surface Area 156.74 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,6s)-4-amino-2-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-5-one
  • 7-oxabicyclo(4.1.0)hept-3-en-2-one, 3-amino-5-hydroxy-, (1s-(1alpha,5beta,6alpha))-
  • mm 14201
  • mm-14201
CAS Number(s)
  • 89020-30-4
InChIKey OIXFFAVTKPAUAU-ZXEDONINSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N