4-Nitrophenyl 6-Thio-6-S-α-D-Xylopyranosyl-Beta-D-Glucopyranoside

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Properties Simple | Detailed

Formula C17H23NO11S
IUPAC Name (2s,3r,4s,5s,6s)-2-(4-nitrophenoxy)-6-[[(2r,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]sulfanylmethyl]tetrahydropyran-3,4,5-triol
Molecular Mass 449.430 g·mol−1
Heat of Formation -1594.6 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 475.41 Å 3
Surface Area 369.03 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6s)-2-(4-nitrophenoxy)-6-[[(2r,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]sulfanylmethyl]tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6s)-2-(4-nitrophenoxy)-6-[[[(2r,3r,4s,5r)-3,4,5-trihydroxy-2-tetrahydropyranyl]thio]methyl]tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6s)-2-(4-nitrophenoxy)-6-[[[(2r,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]thio]methyl]tetrahydropyran-3,4,5-triol
  • 4-nitrophenyl-(6-s-alpha-d-xylopyranosyl)-beta-d-glucopyranoside
  • xtg
InChIKey HQYVHBCTLFPWRQ-ZMFOIVQCSA-N
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