(2R)-2-Amino-6-{4-[(2S)-2-Amino-2-Carboxyethyl]-3-[(3S)-3-Amino-3-Carboxypropyl]-5-Hydroxy-1-Pyridiniumyl}Hexanoate

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Properties Simple | Detailed

Formula C18H28N4O7
IUPAC Name (2r)-2-amino-6-[4-[(2s)-2-amino-2-carboxy-ethyl]-3-[(3s)-3-amino-3-carboxy-propyl]-5-hydroxy-pyridin-1-ium-1-yl]hexanoate
Molecular Mass 412.438 g·mol−1
Heat of Formation -986.2 ± 16.7 kJ·mol−1
Dipole Moment 38.90 ± 1.08 D
Volume 490.96 Å 3
Surface Area 397.97 Å 2
HOMO Energy -6.86 ± 0.55 eV
LUMO Energy -1.80 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-6-[3-[(3s)-3-amino-4-hydroxy-4-keto-butyl]-4-[(2s)-2-amino-3-hydroxy-3-keto-propyl]-5-hydroxy-pyridin-1-ium-1-yl]hexanoate
  • (2r)-2-amino-6-[3-[(3s)-3-amino-4-hydroxy-4-oxo-butyl]-4-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-5-hydroxy-pyridin-1-ium-1-yl]hexanoate
  • (2r)-2-amino-6-[3-[(3s)-3-amino-4-hydroxy-4-oxobutyl]-4-[(2s)-2-amino-3-hydroxy-3-oxopropyl]-5-hydroxy-1-pyridin-1-iumyl]hexanoate
  • (2r)-2-amino-6-[3-[(3s)-3-amino-4-hydroxy-4-oxobutyl]-4-[(2s)-2-amino-3-hydroxy-3-oxopropyl]-5-hydroxypyridin-1-ium-1-yl]hexanoate
  • deoxypyridinoline
  • lysylpyridinoline
  • n-(5-amino-5-carboxypentyl)-3-hydroxy-4-(2-amino-2-carboxyethyl)-5-(3-amino-3-carboxypropyl)pyridine
  • pyridinium, 4-((2s)-2-amino-2-carboxyethyl)-1-((5s)-5-amino-5-carboxypentyl)-3-((3s)-3-amino-3-carboxypropyl)-5-hydroxy-, inner salt
  • pyridinium, 4-(2-amino-2-carboxyethyl)-1-(5-amino-5-carboxypentyl)-3-(3-amino-3-carboxypropyl)-5-hydroxy-, hydroxide, inner salt, stereoisomer
CAS Number(s)
  • 90032-33-0
InChIKey ZAHDXEIQWWLQQL-RDBSUJKOSA-N
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