Morphine 6-β-D-Glucopyranosiduronide

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Formula C23H27NO9
IUPAC Name (2s,3s,4s,5r,6r)-6-[[(4r,4ar,7s,7ar,12bs)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 461.462 g·mol−1
Heat of Formation -1390.1 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 498.26 Å 3
Surface Area 399.7 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 3.00 ± eV
Point Group Symmetry C1
Synonyms
  • beta-d-glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-hydroxy-17-methylmorphinan-6-yl
  • glucopyranosiduronic acid, 7,8-didehydro-4,5-alpha-epoxy-3-hydroxy-17-methylmorphinan-6-alpha-yl-, beta-d-
  • morphine 6-glucuronide
  • morphine-6-b-d-glucuronide
  • morphine-6-glucuronide
  • pdsp2_000436
CAS Number(s)
  • 155755-06-9
  • 20290-10-2
  • 28932-95-8
  • 32205-91-7
InChIKey GNJCUHZOSOYIEC-GAROZEBRSA-N
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