(2S,4S,5R,6R)-5-Acetamido-2-(4-Azido-2-Nitro-Phenyl)Sulfanyl-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid

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Formula C17H22N5O10S
IUPAC Name (2s,4s,5r,6r)-5-acetamido-2-(4-azido-2-nitro-phenyl)sulfanyl-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 488.449 g·mol−1
Heat of Formation -1134.6 ± 16.7 kJ·mol−1
Dipole Moment 8.65 ± 1.08 D
Volume 513.96 Å 3
Surface Area 383.55 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.54 ± eV
Point Group Symmetry C1
InChIKey OSXYWDFMEQZXAC-BPOSEPGKSA-N
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