(5Z)-7-[(1S,2R,3R,4R)-3-{[2-(Phenylcarbamoyl)Hydrazino]Methyl}-7-Oxabicyclo[2.2.1]Hept-2-Yl]-5-Heptenoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C21H29N3O4
IUPAC Name (z)-7-[(1s,2r,3r,4r)-3-[[2-(phenylcarbamoyl)hydrazino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Molecular Mass 387.473 g·mol−1
Heat of Formation -565.9 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 483.49 Å 3
Surface Area 388.79 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1s,4r,5r,6r)-5-[(2-(phenylcarbamoyl)hydrazinyl)methyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
  • (z)-7-[(1s,4r,5r,6r)-5-[(n'-(phenylcarbamoyl)hydrazino)methyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
  • (z)-7-[(1s,4r,5r,6r)-5-[[n'-[oxo-(phenylamino)methyl]hydrazino]methyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
  • sq29548
CAS Number(s)
  • 98672-91-4
InChIKey RJNDVCNWVBWHLY-YVUOLYODSA-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