4-Thio-4-S-β-D-Xylopyranosyl-D-Xylose

Molecule SVG Image

Properties Simple | Detailed

Formula C10H18O8S
IUPAC Name (2r,3r,4r)-2,3,5-trihydroxy-4-[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]sulfanyl-pentanal
Molecular Mass 298.310 g·mol−1
Heat of Formation -1437.4 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 327.33 Å 3
Surface Area 279.95 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r)-2,3,5-trihydroxy-4-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]sulfanyl-pentanal
  • (2r,3r,4r)-2,3,5-trihydroxy-4-[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]sulfanyl-pentanal
  • (2r,3r,4r)-2,3,5-trihydroxy-4-[[(2s,3r,4s,5r)-3,4,5-trihydroxy-2-tetrahydropyranyl]thio]pentanal
  • (2r,3r,4r)-2,3,5-trihydroxy-4-[[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]thio]valeraldehyde
  • 4-thioxylobiose
  • d-xylose, 4-thio-4-s-beta-d-xylopyranosyl-
CAS Number(s)
  • 82040-51-5
InChIKey NEGASMZGSNDEKT-RSZZQXBVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O