Morphine-3-Glucuronide

Molecule SVG Image

Properties Simple | Detailed

Formula C23H27NO9
IUPAC Name (2s,3r,4s,5r,6s)-6-[[(3s,4r,4ar,7s,7ar,12bs)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl]oxy]-3,4,5-trioxido-tetrahydropyran-2-ide-2-carboxylate
Molecular Mass 461.462 g·mol−1
Heat of Formation -1391.6 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 508.58 Å 3
Surface Area 390.74 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • beta-d-glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-6-hydroxy-17-methylmorphinan-3-yl
  • morphine-3-beta-d-glucuronide
CAS Number(s)
  • 32205-90-6
  • 20290-09-9
InChIKey WAEXKFONHRHFBZ-ZXDZBKESSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N