5-Ethyl-5-Phenyl-1-(2,3,4,6-Tetra-O-Acetyl-β-D-Glucopyranosyl)-2,4,6(1H,3H,5H)-Pyrimidinetrione
Properties
Property | Value |
---|---|
Formula | C26H30N2O12 |
IUPAC Name | [(2r,3r,4s,5r,6r)-3,4,5-triacetoxy-6-[(5s)-5-ethyl-2,4,6-trioxo-5-phenyl-hexahydropyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate |
Molecular Mass | 562.523 g·mol−1 |
Heat of Formation | -2068.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.27 ± 1.08 D |
Volume | 638.51 Å 3 |
Surface Area | 474.03 Å 2 |
HOMO Energy | -10.06 ± 0.55 eV |
LUMO Energy | 2.36 ± eV |
Point Group Symmetry | C1 |
InChIKey | JOHOCAZCFNMEFA-BMQWHLEYSA-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 |