(5α,6α)-3-Hydroxy-7,8-Didehydro-4,5-Epoxymorphinan-6-Yl Beta-D-Glucopyranosiduronic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C22H25NO9
IUPAC Name (2s,3s,4s,5r,6r)-6-[[(4r,4ar,7s,7ar,12bs)-9-hydroxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 447.435 g·mol−1
Heat of Formation -1386.6 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 478.33 Å 3
Surface Area 379.96 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • beta-d-glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-hydroxymorphinan-6-yl
  • morphinan, beta-d-glucopyranosiduronic acid deriv.
  • normorphine-6-glucuronide
CAS Number(s)
  • 65060-95-9
InChIKey ILORZZTWORORRX-LHWQPMLGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N