2-(β-D-Glucopyranosyloxy)-4-Hydroxy-6-Oxabicyclo[3.1.0]Hexane-2-Carbonitrile
Properties
Property | Value |
---|---|
Formula | C12H17NO8 |
IUPAC Name | (1r,2s,4s,5r)-4-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile |
Molecular Mass | 303.265 g·mol−1 |
Heat of Formation | -1203.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.68 ± 1.08 D |
Volume | 326.42 Å 3 |
Surface Area | 275.74 Å 2 |
HOMO Energy | -10.69 ± 0.55 eV |
LUMO Energy | 0.13 ± eV |
Point Group Symmetry | C1 |
InChIKey | CDFHUZRDGPRGDK-CICPBQKUSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |