3-[(5Z)-5-{[3-(2-Carboxyethyl)-4-(Carboxymethyl)-5-Methyl-1H-Pyrrol-2-Yl]Methylene}-4-(Carboxymethyl)-2-Oxo-2,5-Dihydro-1H-Pyrrol-3-Yl]Propanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C20H22N2O9
IUPAC Name 3-[2-[(z)-[4-(2-carboxyethyl)-3-(carboxymethyl)-5-oxo-pyrrol-2-ylidene]methyl]-4-(carboxymethyl)-5-methyl-pyrrol-1-ium-3-id-3-yl]propanoic acid
Molecular Mass 434.397 g·mol−1
Heat of Formation -1624.6 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 494.32 Å 3
Surface Area 428.13 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
InChIKey MBSNQHZDABRTAT-NVNXTCNLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N