2,2'-[1,2-Ethanediylbis({[3-Hydroxy-5-(Hydroxymethyl)-2-Methyl-4-Pyridinyl]Methyl}Imino)]Diacetic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C22H30N4O8
IUPAC Name 2-[2-[carboxylatomethyl-[[2-methyl-3-oxido-5-(oxidomethyl)pyridin-1-ium-5-id-4-yl]methyl]amino]ethyl-[[6-methyl-5-oxido-3-(oxidomethyl)-2h-pyridin-2-ylium-4-yl]methyl]amino]acetate
Molecular Mass 478.496 g·mol−1
Heat of Formation -1401.5 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 542.05 Å 3
Surface Area 396.01 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[carboxymethyl-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methyl]amino]ethyl-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methyl]amino]acetic acid
  • 2-[2-[carboxymethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridin-4-yl]methyl]amino]ethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridin-4-yl]methyl]amino]ethanoic acid
  • 2-[2-[carboxymethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]ethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]acetic acid
  • n,n'-dipyridoxylethylenediamine-n,n'-diacetic acid
  • pled
CAS Number(s)
  • 88969-06-6
InChIKey RICKKZXCGCSLIU-UHFFFAOYSA-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