(2Z)-[(2S,3R,4S,6R)-6-(β-L-Glucopyranosyloxy)-2-Hydroxy-3,4-Dimethoxycyclohexylidene]Acetonitrile
Properties
Property | Value |
---|---|
Formula | C16H25NO9 |
IUPAC Name | (2z)-2-[(2s,3r,4s,6r)-2-hydroxy-3,4-dimethoxy-6-[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexylidene]acetonitrile |
Molecular Mass | 375.371 g·mol−1 |
Heat of Formation | -1469.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.70 ± 1.08 D |
Volume | 429.65 Å 3 |
Surface Area | 345.73 Å 2 |
HOMO Energy | -9.99 ± 0.55 eV |
LUMO Energy | -0.84 ± eV |
Point Group Symmetry | C1 |
InChIKey | KURSRHBVYUACKS-JICLZLQHSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |