Methyl 2-Deoxy-3-O-Sulfo-2-(Sulfoamino)-α-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C7H15NO11S2
IUPAC Name [(2s,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-sulfooxy-tetrahydropyran-3-yl]sulfamic acid
Molecular Mass 353.324 g·mol−1
Heat of Formation -1984.4 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 336.97 Å 3
Surface Area 283.24 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3r,4r,5r,6r)-5-hydroxy-2-methoxy-6-methylol-4-sulfoxy-tetrahydropyran-3-yl]sulfamic acid
  • [(2s,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-sulfooxy-3-tetrahydropyranyl]sulfamic acid
  • [(2s,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-sulfooxy-oxan-3-yl]sulfamic acid
  • [(2s,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-sulfooxy-tetrahydropyran-3-yl]sulfamic acid
  • [(2s,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-sulfooxyoxan-3-yl]sulfamic acid
  • alpha-d-glucopyranoside, methyl 2-deoxy-2-(sulfoamino)-, 3-(hydrogen sulfate)
  • mdsgs
  • methyl-2-deoxy alpha-d-glycopyranoside 2-sulfamate 3-o-sulfate
  • methyl-2-deoxy-2-sulfamino-alpha-d-glucopyranoside 3-sulfate
CAS Number(s)
  • 74784-06-8
InChIKey WTXSKLVBYJSTQA-GKHCUFPYSA-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