1-S-[(1E)-2-Methyl-N-(Sulfooxy)Propanimidoyl]-1-Thio-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C10H19NO9S2
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1e)-2-methyl-n-sulfooxy-propanimidothioate
Molecular Mass 361.389 g·mol−1
Heat of Formation -1522.1 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 376.84 Å 3
Surface Area 309.03 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • [[2-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-propylidene]amino] hydrogen sulfate
  • [[2-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-propylidene]amino] hydrogen sulfate
  • [[2-methyl-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]thio]propylidene]amino] hydrogen sulfate
  • [[2-methyl-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]propylidene]amino] hydrogen sulfate
InChIKey WGIQZGDVCQDPTG-AKCVUUKNSA-N
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