Codeine-6-Glucuronide

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Properties Simple | Detailed

Formula C24H25NO9
IUPAC Name (2s,3s,4s,5r,6r)-6-[[(4r,4ar,7s,7ar,12bs)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Mass 471.457 g·mol−1
Heat of Formation -1348.9 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 526.49 Å 3
Surface Area 404.63 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy 0.33 ± eV
Point Group Symmetry C1
Synonyms
  • beta-d-galactopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl
  • beta-d-glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl
CAS Number(s)
  • 20736-11-2
InChIKey CRWVOYRJXPDBPM-HSCJLHHPSA-N
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