1-S-[(1E)-2-(3-Methoxyphenyl)-N-(Sulfooxy)Ethanimidoyl]-1-Thio-β-D-Glucopyranose

Molecule SVG Image

Properties Simple | Detailed

Formula C15H21NO10S2
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1e)-2-(3-methoxyphenyl)-n-sulfooxy-ethanimidothioate
Molecular Mass 439.458 g·mol−1
Heat of Formation -1549.9 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 460.39 Å 3
Surface Area 348.79 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • [[2-(3-methoxyphenyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-ethylidene]amino] hydrogen sulfate
  • [[2-(3-methoxyphenyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] hydrogen sulfate
  • [[2-(3-methoxyphenyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-ethylidene]amino] hydrogen sulfate
  • [[2-(3-methoxyphenyl)-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]thio]ethylidene]amino] hydrogen sulfate
  • [[2-(3-methoxyphenyl)-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]ethylidene]amino] hydrogen sulfate
InChIKey RYDIUEJGEAUJAI-MFIRQCQASA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N