6-{[(4R,5R)-4-(Hydroxymethyl)-5-Methyl-2,6-Dioxohexahydro-5-Pyrimidinyl]Methyl}-5-Methyl-2,4(1H,3H)-Pyrimidinedione

Molecule SVG Image

Properties Simple | Detailed

Formula C12H16N4O5++
IUPAC Name 6-[[(4r,5r)-4-(hydroxymethyl)-5-methyl-2,6-dioxo-hexahydropyrimidin-5-yl]methyl]-5-methyl-pyrimidin-1-ium-5-ide-2,4-dione
Molecular Mass 296.279 g·mol−1
Heat of Formation -955.4 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 328.08 Å 3
Surface Area 280.4 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
InChIKey KBBKHMIEEMSXSM-JVXZTZIISA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N