1-S-[(1E)-2-(4-Hydroxyphenyl)-N-(Sulfooxy)Ethanimidoyl]-1-Thio-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C14H19NO10S2
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1e)-2-(4-hydroxyphenyl)-n-sulfooxy-ethanimidothioate
Molecular Mass 425.431 g·mol−1
Heat of Formation -1565.4 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 450.54 Å 3
Surface Area 346.23 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • [[2-(4-hydroxyphenyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-ethylidene]amino] hydrogen sulfate
  • [[2-(4-hydroxyphenyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] hydrogen sulfate
  • [[2-(4-hydroxyphenyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-ethylidene]amino] hydrogen sulfate
  • [[2-(4-hydroxyphenyl)-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]thio]ethylidene]amino] hydrogen sulfate
  • [[2-(4-hydroxyphenyl)-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]ethylidene]amino] hydrogen sulfate
InChIKey WWBNBPSEKLOHJU-BXLHIMNRSA-N
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