1-(β-D-Glucopyranosyl)-5-(1-Heptyn-1-Yl)-2,4(1H,3H)-Pyrimidinedione
Properties
Property | Value |
---|---|
Formula | C17H24N2O7 |
IUPAC Name | 5-hept-1-ynyl-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione |
Molecular Mass | 368.382 g·mol−1 |
Heat of Formation | -1102.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.27 ± 1.08 D |
Volume | 433.15 Å 3 |
Surface Area | 388.98 Å 2 |
HOMO Energy | -9.12 ± 0.55 eV |
LUMO Energy | -0.70 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZIAKFTYLGUACKB-XYFZXANASA-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 |