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

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Properties Simple | Detailed

Formula C21H29N3O4
IUPAC Name (z)-7-[(1r,2r,3r,4s)-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 -525.3 ± 16.7 kJ·mol−1
Dipole Moment 6.89 ± 1.08 D
Volume 479.23 Å 3
Surface Area 403.54 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,4s,5r,6r)-5-[(2-(phenylcarbamoyl)hydrazinyl)methyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
  • (z)-7-[(1r,4s,5r,6r)-5-[(n'-(phenylcarbamoyl)hydrazino)methyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
  • (z)-7-[(1r,4s,5r,6r)-5-[[n'-[oxo-(phenylamino)methyl]hydrazino]methyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
  • 5-heptenoic acid, 7-((1r,2r,3r,4s)-3-((2-((phenylamino)carbonyl)hydrazino)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-, (5z)-rel-
  • 5-heptenoic acid, 7-(3-((2-((phenylamino)carbonyl)hydrazino)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-, (1alpha,2beta(z),3beta,4alpha)-(+-)-
  • 7-(3-((2-((phenylamino)carbonyl)hydrazino)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-5-heptenoic acid
  • sq 28053
  • sq 29548
  • sq-29548
CAS Number(s)
  • 98299-61-7
InChIKey RJNDVCNWVBWHLY-OQMICVBCSA-N
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