(5α,6Beta,14Beta,18R)-17-(Cyclopropylmethyl)-6-[2-(~18~F)Fluoroethoxy]-18-(2-Hydroxy-2-Propanyl)-18,19-Dihydro-4,5-Epoxy-6,14-Ethenomorphinan-3-Ol

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Properties Simple | Detailed

Formula C27H36FNO4
IUPAC Name (5alpha,6beta,14beta,18r)-17-(cyclopropylmethyl)-6-[2-( 18 f)fluoroethoxy]-18-(2-hydroxy-2-propanyl)-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
Molecular Mass 456.580 g·mol−1
Heat of Formation -773.2 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 545.67 Å 3
Surface Area 413.61 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 3.08 ± eV
Point Group Symmetry C1
Synonyms
  • 6-o-(2-[18f]fluoroethyl)-6-o-desmethyldiprenorphine
  • [18f]fdpn
InChIKey VKHMXTVEQIZBFB-OTYPXZCOSA-N
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Elements H C N O F