2-(β-D-Glucopyranosyloxy)-4-Hydroxy-6-Oxabicyclo[3.1.0]Hexane-2-Carbonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C12H17NO8
IUPAC Name (1r,2r,4r,5r)-2-hydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-oxabicyclo[3.1.0]hexane-4-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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N