(5Z)-7-[(1R,2S,3S,5S)-3-{[(2S)-2-Hydroxy-3-Phenylpropyl]Amino}-6,6-Dimethylbicyclo[3.1.1]Hept-2-Yl]-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C25H37NO3
IUPAC Name (z)-7-[(1r,2s,3s,5s)-3-[[(2s)-2-hydroxy-3-phenyl-propyl]amino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
Molecular Mass 399.566 g·mol−1
Heat of Formation -549.7 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 536.47 Å 3
Surface Area 393.3 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2s,3s,5s)-3-[[(2s)-2-hydroxy-3-phenyl-propyl]amino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
  • (z)-7-[(1r,2s,3s,5s)-3-[[(2s)-2-hydroxy-3-phenyl-propyl]amino]-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
  • (z)-7-[(1r,2s,3s,5s)-3-[[(2s)-2-hydroxy-3-phenylpropyl]amino]-6,6-dimethyl-2-norpinanyl]hept-5-enoic acid
  • (z)-7-[(1r,2s,3s,5s)-3-[[(2s)-2-hydroxy-3-phenylpropyl]amino]-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
  • ono-11120
InChIKey PMGIFUWXEZQNBB-SMMSBGQDSA-N
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