(5Z)-6-[(1S,2R,3R,4R)-3-({[(4-Methylphenyl)Sulfonyl]Amino}Methyl)Bicyclo[2.2.1]Hept-2-Yl]-5-Hexenoic Acid

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Properties Simple | Detailed

Formula C21H29NO4S
IUPAC Name (z)-6-[(1s,2r,3r,4r)-3-[(p-tolylsulfonylamino)methyl]norbornan-2-yl]hex-5-enoic acid
Molecular Mass 391.524 g·mol−1
Heat of Formation -690.5 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 479.94 Å 3
Surface Area 364.02 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-6-[(1r,4s,5r,6r)-6-[[(4-methylphenyl)sulfonylamino]methyl]-5-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
  • (z)-6-[(1s,2r,3r,4r)-3-[[(4-methylphenyl)sulfonylamino]methyl]-2-norbornanyl]hex-5-enoic acid
  • (z)-6-[(1s,2r,3r,4r)-3-[[(4-methylphenyl)sulfonylamino]methyl]norbornan-2-yl]hex-5-enoic acid
  • 5-hexenoic acid, 6-(3-((((4-methylphenyl)sulfonyl)amino)methyl)bicyclo(2.2.1)hept-2-yl)-, (1alpha,2alpha(z),3beta,4alpha)-
  • ono-nt 026
  • ono-nt 125
  • ono-nt-125
CAS Number(s)
  • 121700-32-1
InChIKey ZQUVNOMEXKWSRI-ZVQSNZPMSA-N
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