(2Z)-[(2S,3R,4S,6R)-6-(β-L-Glucopyranosyloxy)-2-Hydroxy-3,4-Dimethoxycyclohexylidene]Acetonitrile

Molecule SVG Image

Properties Simple | Detailed

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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N