(4β,8Alpha,9R)-6'-Methoxycinchonan-3,9-Diol

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Properties Simple | Detailed

Formula C20H24N2O3
IUPAC Name (1r,3s,4r,6s)-6-[(r)-hydroxy-(6-methoxy-4-quinolyl)methyl]-3-vinyl-quinuclidin-3-ol
Molecular Mass 340.416 g·mol−1
Heat of Formation -270.4 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 411.42 Å 3
Surface Area 343.59 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4r,6s)-6-[(r)-hydroxy-(6-methoxy-4-quinolyl)methyl]-3-vinyl-3-quinuclidinol
  • (3s,4r,6s)-6-[(r)-hydroxy-(6-methoxy-4-quinolyl)methyl]-3-vinyl-quinuclidin-3-ol
  • (4r,5s,7s)-5-ethenyl-7-[(r)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-ol
  • (9r)-6'-methoxycinchonan-3,9-diol
  • 3-hydroxyquinine
InChIKey BSRUJCFCZKMFMB-ZNYHDOEXSA-N
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