Pentosidine

Molecule SVG Image

Properties Simple | Detailed

Formula C17H27N6O4
IUPAC Name (2s)-2-amino-6-[2-[[(4s)-4-amino-4-carboxy-butyl]amino]-5h-imidazo[4,5-b]pyridine-1,3-diium-5-id-4-yl]hexanoic acid
Molecular Mass 379.434 g·mol−1
Heat of Formation -533.2 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 460.33 Å 3
Surface Area 425.77 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-6-[2-[[(4s)-4-amino-5-hydroxy-5-keto-pentyl]amino]imidazo[4,5-b]pyridin-4-yl]hexanoic acid
  • (2s)-2-amino-6-[2-[[(4s)-4-amino-5-hydroxy-5-oxo-pentyl]amino]imidazo[4,5-b]pyridin-4-yl]hexanoic acid
  • (2s)-2-amino-6-[2-[[(4s)-4-amino-5-hydroxy-5-oxopentyl]amino]-4-imidazo[4,5-b]pyridinyl]hexanoic acid
  • (2s)-2-amino-6-[2-[[(4s)-4-amino-5-hydroxy-5-oxopentyl]amino]imidazo[4,5-b]pyridin-4-yl]hexanoic acid
  • 4h-imidazo(4,5-b)pyridine-4-hexanoic acid, alpha-amino-2-(((4s)-4-amino-4-carboxybutyl)amino)-, (alphas)-
  • 4h-imidazo(4,5-b)pyridine-4-hexanoic acid, alpha-amino-2-((4-amino-4-carboxybutyl)amino)-, (s-(r*,r*))-
CAS Number(s)
  • 124505-87-9
InChIKey AYEKKSTZQYEZPU-RYUDHWBXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N