1-(β-D-Glucopyranosyl)-4-(Hydroxymethyl)-1H-1,2,3-Triazole
Properties
Property | Value |
---|---|
Formula | C9H15N3O6 |
IUPAC Name | (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]tetrahydropyran-3,4,5-triol |
Molecular Mass | 261.232 g·mol−1 |
Heat of Formation | -871.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.26 ± 1.08 D |
Volume | 285.09 Å 3 |
Surface Area | 263.03 Å 2 |
HOMO Energy | -10.39 ± 0.55 eV |
LUMO Energy | -0.39 ± eV |
Point Group Symmetry | C1 |
InChIKey | BHGZOVXPACYZLI-SYHAXYEDSA-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 |