4-Methyl-2-Oxo-2H-Chromen-7-Yl α-L-Idopyranosiduronic Acid

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Properties Simple | Detailed

Formula C16H16O9
IUPAC Name (2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 352.293 g·mol−1
Heat of Formation -1452.4 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 371.7 Å 3
Surface Area 326.69 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-keto-4-methyl-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid
  • (2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-methyl-2-oxo-chromen-7-yl)oxy-oxane-2-carboxylic acid
  • (2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid
  • (2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
  • (2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(4-methyl-2-oxo-7-chromenyl)oxy]-2-tetrahydropyrancarboxylic acid
  • 4-methyl-2-oxo-2h-1-benzopyran-7-yl alpha-l-ido-pyranosiduronic acid
  • 4-methylumbelliferyl iduronide
CAS Number(s)
  • 66966-09-4
InChIKey ARQXEQLMMNGFDU-ZHMBSYLPSA-N
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