1-S-[(1E)-5-(Methylsulfinyl)-N-(Sulfooxy)Pentanimidoyl]-1-Thio-β-D-Glucopyranose

Molecule SVG Image

Properties Simple | Detailed

Formula C12H23NO10S3
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1e)-5-[(r)-methylsulfinyl]-n-sulfooxy-pentanimidothioate
Molecular Mass 437.507 g·mol−1
Heat of Formation -1706.4 ± 16.7 kJ·mol−1
Dipole Moment 6.77 ± 1.08 D
Volume 454.54 Å 3
Surface Area 353.57 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
InChIKey GMMLNKINDDUDCF-JRWRFYLSSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N