Sinigrin
Properties
Property | Value |
---|---|
Formula | C10H17NO9S2 |
IUPAC Name | [(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1e)-n-sulfooxybut-3-enimidothioate |
Molecular Mass | 359.373 g·mol−1 |
Heat of Formation | -1397.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.53 ± 1.08 D |
Volume | 376.97 Å 3 |
Surface Area | 315.2 Å 2 |
HOMO Energy | -9.28 ± 0.55 eV |
LUMO Energy | -0.92 ± eV |
Point Group Symmetry | C1 |
InChIKey | PHZOWSSBXJXFOR-VSRRPCAUSA-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 |