1-(β-D-Glucopyranosyl)-5-(1-Heptyn-1-Yl)-2,4(1H,3H)-Pyrimidinedione

Molecule SVG Image

Properties Simple | Detailed

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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N