1-S-[(1Z,4E)-5-(Methylsulfinyl)-N-(Sulfooxy)-4-Pentenimidoyl]-1-Thio-β-D-Glucopyranose

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Formula C12H21NO10S3
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (e,1e)-5-[(s)-methylsulfinyl]-n-sulfooxy-pent-4-enimidothioate
Molecular Mass 435.491 g·mol−1
Heat of Formation -1533.1 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 459.69 Å 3
Surface Area 386.98 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey ZFLXCZJBYSPSKU-OKGGYFAUSA-N
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