Pentosidine

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Properties Simple | Detailed

Formula C17H26N6O4
IUPAC Name (2s)-2-amino-6-[2-[[(4s)-4-amino-4-carboxy-butyl]amino]imidazo[4,5-b]pyridin-4-yl]hexanoic acid
Molecular Mass 378.426 g·mol−1
Heat of Formation -569.9 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 459.96 Å 3
Surface Area 364.38 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy 2.10 ± 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
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