1-S-[(1E,3R)-3-Hydroxy-N-(Sulfooxy)-4-Pentenimidoyl]-1-Thio-β-D-Glucopyranosato

Molecule SVG Image

Properties Simple | Detailed

Formula C11H19NO10S2
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1e,3r)-3-hydroxy-n-sulfooxy-pent-4-enimidothioate
Molecular Mass 389.399 g·mol−1
Heat of Formation -1615.0 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 409.53 Å 3
Surface Area 337.61 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
InChIKey MYHSVHWQEVDFQT-INZKYMGHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N