α-Naloxol

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Properties Simple | Detailed

Formula C19H23NO4
IUPAC Name (3r,4r,4as,7s,7ar,12bs)-3-allyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
Molecular Mass 329.390 g·mol−1
Heat of Formation -511.1 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 382.37 Å 3
Surface Area 307.87 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (5alpha,6alpha)-4,5-epoxy-17-(2-propenyl)morphinan-3,6,14-triol
  • 6alpha-hydroxynaloxone
  • 6alpha-naloxol
CAS Number(s)
  • 20410-95-1
InChIKey HMWHERQFMBEHNG-AQQQZIQISA-N
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