4-Methylumbelliferylglucuronide

Molecule SVG Image

Properties Simple | Detailed

Formula C16H16O9
IUPAC Name (2s,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 -1436.3 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 374.84 Å 3
Surface Area 334.86 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-keto-4-methyl-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-methyl-2-oxo-chromen-7-yl)oxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
  • (2s,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 beta-d-glucopyranosiduronic acid
  • 4-methylumbelliferone glucuronide
  • 4-methylumbelliferyl beta-glucuronide
  • 4-methylumbelliferyl glucuronide
  • beta-d-glucopyranosiduronic acid, 4-methyl-2-oxo-2h-1-benzopyran-7-yl
  • molmap_000057
CAS Number(s)
  • 30138-68-2
  • 84434-84-4
  • 6160-80-1
InChIKey ARQXEQLMMNGFDU-JHZZJYKESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O