(2R,3R,4S)-3-Acetamido-2-[(1R,2S)-3-(4-Azido-2-Nitro-Phenyl)Sulfanyl-1,2-Dihydroxy-Propyl]-4-Hydroxy-3,4-Dihydro-2H-Pyran-6-Carboxylic Acid

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Formula C17H20N5O9S
IUPAC Name (2r,3r,4s)-3-acetamido-2-[(1r,2s)-3-(4-azido-2-nitro-phenyl)sulfanyl-1,2-dihydroxy-propyl]-4-hydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 470.434 g·mol−1
Heat of Formation -879.8 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 499.87 Å 3
Surface Area 380.49 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
InChIKey MKGDHBSSKAHPMH-IQVWLFHZSA-N
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