4-Methyl-2-Oxo-2H-Chromen-7-Yl 2-Acetamido-2-Deoxy-6-O-Sulfohexopyranoside

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Formula C18H22NO11S+
IUPAC Name [(2r,3s,4r,5r,6r)-5-acetamido-3,4-dihydroxy-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl hydrogen sulfate
Molecular Mass 460.432 g·mol−1
Heat of Formation -1835.9 ± 16.7 kJ·mol−1
Dipole Moment 11.13 ± 1.08 D
Volume 489.23 Å 3
Surface Area 414.38 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
InChIKey FEMWMNCEGXUBRL-FGTAOJJYSA-N
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