6α-Iodo-3,14-Dihydroxy-17-(Cyclopropylmethyl)-4,5α-Epoxymorphinan

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Properties Simple | Detailed

Formula C20H24INO3
IUPAC Name (3r,4r,4as,7s,7ar,12bs)-3-(cyclopropylmethyl)-7-iodo-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Molecular Mass 453.314 g·mol−1
Heat of Formation -297.9 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 423.93 Å 3
Surface Area 336.16 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (5alpha,6alpha)-17-(cyclopropylmethyl)-4,5-epoxy-6-iodomorphinan-3,14-diol
  • 17-(cyclopropylmethyl)-4,5-epoxy-6-iodomorphinan-3,14-diol (5alpha,6alpha)-
  • 6-iodo-3,14-dihydroxy-17-(cyclopropylmethyl)-4,5-epoxymorphinan
  • 6alpha-idcem
  • 6beta-idcem
  • 6beta-iodo-3,14-dihydroxy-17-(cyclopropylmethyl)-4,5alpha-epoxymorphinan
  • morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-iodo-, (5alpha,6alpha)-
CAS Number(s)
  • 141392-30-5
InChIKey XEXVJJBUTPOPFH-LRLHPVAZSA-N
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