[(2S)-3-(1,3-Dimethyl-2,6-Dioxo-Purin-9-Ium-5-Id-7-Yl)-2-Hydroxy-Propyl] Pyridin-1-Ium-3-Ide-3-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C16H19N5O5
IUPAC Name [(2s)-3-(1,3-dimethyl-2,6-dioxo-purin-9-ium-5-id-7-yl)-2-hydroxy-propyl] pyridin-1-ium-3-ide-3-carboxylate
Molecular Mass 361.353 g·mol−1
Heat of Formation -589.6 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 400.43 Å 3
Surface Area 357.84 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
InChIKey QGBVXICXUIYEIA-HIFPTAJRSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N