1-O-{[(2R)-1-(2,6-Dimethylphenoxy)-2-Propanyl]Amino}-β-D-Glucopyranuronic Acid

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Properties Simple | Detailed

Formula C17H25NO8
IUPAC Name (2s,3s,4s,5r,6s)-6-[[(1r)-2-(2,6-dimethylphenoxy)-1-methyl-ethyl]amino]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 371.382 g·mol−1
Heat of Formation -1319.5 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 428.4 Å 3
Surface Area 346.73 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-[[(1r)-2-(2,6-dimethylphenoxy)-1-methyl-ethyl]amino]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[[(1r)-2-(2,6-dimethylphenoxy)-1-methylethyl]amino]oxy-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-6-[[(2r)-1-(2,6-dimethylphenoxy)propan-2-yl]amino]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[[(2r)-1-(2,6-dimethylphenoxy)propan-2-yl]amino]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • n-hydroxymexiletine glucuronide
  • n-oh-mexiletine-glc
CAS Number(s)
  • 151636-18-9
InChIKey XXMULGPNDWROEN-FHVJEIPNSA-N
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