1-(β-D-Glucopyranosyl)-5-(1-Pentyn-1-Yl)-2,4(1H,3H)-Pyrimidinedione
Properties
Property | Value |
---|---|
Formula | C15H20N2O7 |
IUPAC Name | 5-pent-1-ynyl-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione |
Molecular Mass | 340.329 g·mol−1 |
Heat of Formation | -1059.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.03 ± 1.08 D |
Volume | 389.12 Å 3 |
Surface Area | 349.27 Å 2 |
HOMO Energy | -9.12 ± 0.55 eV |
LUMO Energy | -0.70 ± eV |
Point Group Symmetry | C1 |
InChIKey | XHEMRIMZCOFGEX-YGEZULPYSA-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 |