5-Bromo-1-(β-D-Glucopyranosyl)-2,4(1H,3H)-Pyrimidinedione
Properties
Property | Value |
---|---|
Formula | C10H13BrN2O7 |
IUPAC Name | 5-bromo-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione |
Molecular Mass | 353.123 g·mol−1 |
Heat of Formation | -1189.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.34 ± 1.08 D |
Volume | 324.87 Å 3 |
Surface Area | 285.32 Å 2 |
HOMO Energy | -9.53 ± 0.55 eV |
LUMO Energy | 2.13 ± eV |
Point Group Symmetry | C1 |
InChIKey | QNNGZNNVDUDIOK-XSEHCYKFSA-P |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Br N |