2-[(2S)-2-[(1R)-1-Amino-2-Hydroxy-Ethyl]-4-(4H-Imidazol-1-Ium-4-Ylium-5-Ylmethyl)-5-Oxo-2H-Imidazol-1-Yl]Acetic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C11H15N5O4
IUPAC Name 2-[(2s)-2-[(1r)-1-amino-2-hydroxy-ethyl]-4-(4h-imidazol-1-ium-4-ylium-5-ylmethyl)-5-oxo-2h-imidazol-1-yl]acetic acid
Molecular Mass 281.268 g·mol−1
Heat of Formation -489.8 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 321.84 Å 3
Surface Area 280.45 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
InChIKey ZUHFMWFOPOTPRB-XVKPBYJWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N