1-S-[(1Z,4E)-5-(Methylsulfinyl)-N-(Sulfooxy)-4-Pentenimidoyl]-1-Thio-β-D-Glucopyranose
Properties
Property | Value |
---|---|
Formula | C12H21NO10S3 |
IUPAC Name | [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (e,1e)-5-[(s)-methylsulfinyl]-n-sulfooxy-pent-4-enimidothioate |
Molecular Mass | 435.491 g·mol−1 |
Heat of Formation | -1533.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.76 ± 1.08 D |
Volume | 459.69 Å 3 |
Surface Area | 386.98 Å 2 |
HOMO Energy | -8.49 ± 0.55 eV |
LUMO Energy | -0.88 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZFLXCZJBYSPSKU-OKGGYFAUSA-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 |