4-Methyl-2-Oxo-2H-Chromen-7-Yl (6R)-5-Acetamido-3,5-Dideoxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-β-L-Threo-Hex-2-Ulopyranosidonic Acid

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Properties Simple | Detailed

Formula C21H26NO11+
IUPAC Name (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(4-methyl-2-oxo-chromen-7-yl)oxy-6-[(1s,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 468.431 g·mol−1
Heat of Formation -1880.5 ± 16.7 kJ·mol−1
Dipole Moment 8.25 ± 1.08 D
Volume 524.69 Å 3
Surface Area 408.56 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
InChIKey KKDWIUJBUSOPGC-MORHTPAJSA-N
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