4-Methylumbelliferylglucuronide

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Properties Simple | Detailed

Formula C16H17O9+
IUPAC Name (2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 353.301 g·mol−1
Heat of Formation -1437.0 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 373.52 Å 3
Surface Area 327.36 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey ARQXEQLMMNGFDU-FAHYXWLWSA-N
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Elements H C O