3-(β-D-Glucopyranosyl)-6-Propylfuro[2,3-D]Pyrimidin-2(3H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C15H20N2O7
IUPAC Name 6-propyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-5h-furo[2,3-d]pyrimidine-5,6-diid-2-one
Molecular Mass 340.329 g·mol−1
Heat of Formation -1072.2 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 381.44 Å 3
Surface Area 336.76 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
InChIKey XKVQKUGUMPARLW-YGEZULPYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N