(5S)-5-Ethyl-1-(β-D-Glucopyranosyl)-5-[(2R)-2-Pentanyl]-2,4,6(1H,3H,5H)-Pyrimidinetrione

Molecule SVG Image

Properties Simple | Detailed

Formula C17H28N2O8
IUPAC Name (5s)-5-ethyl-5-[(1r)-1-methylbutyl]-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]hexahydropyrimidine-2,4,6-trione
Molecular Mass 388.413 g·mol−1
Heat of Formation -1614.5 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 459.87 Å 3
Surface Area 364.09 Å 2
HOMO Energy -10.53 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-5-ethyl-5-[(1r)-1-methylbutyl]-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]hexahydropyrimidine-2,4,6-trione
  • (5s)-5-ethyl-5-[(1r)-1-methylbutyl]-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]hexahydropyrimidine-2,4,6-trione
  • (5s)-5-ethyl-5-[(1r)-1-methylbutyl]-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]barbituric acid
  • (5s)-5-ethyl-5-[(2r)-pentan-2-yl]-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione
InChIKey KVCUMBIRVZPZCG-CZFQTUDHSA-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