2-Acetamido-2-Deoxy-6-O-Sulfo-α-D-Glucopyranose

Molecule SVG Image

Properties Simple | Detailed

Formula C8H15NO9S
IUPAC Name [(2r,3s,4r,5r,6s)-5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl]methyl hydrogen sulfate
Molecular Mass 301.271 g·mol−1
Heat of Formation -1672.2 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 306.32 Å 3
Surface Area 282.97 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r,6s)-5-acetamido-3,4,6-trihydroxy-2-tetrahydropyranyl]methyl hydrogen sulfate
  • [(2r,3s,4r,5r,6s)-5-acetamido-3,4,6-trihydroxy-oxan-2-yl]methyl hydrogen sulfate
  • [(2r,3s,4r,5r,6s)-5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl]methyl hydrogen sulfate
  • [(2r,3s,4r,5r,6s)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl hydrogen sulfate
  • ngs
InChIKey WJFVEEAIYIOATH-PVFLNQBWSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N