Deoxypyridinoline

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Properties Simple | Detailed

Formula C18H28N4O7
IUPAC Name (2s)-2-amino-4-[4-[(2s)-2-amino-2-carboxy-ethyl]-1-[(5s)-5-amino-5-carboxy-pentyl]-5-hydroxy-pyridin-1-ium-3-yl]butanoate
Molecular Mass 412.438 g·mol−1
Heat of Formation -1174.6 ± 16.7 kJ·mol−1
Dipole Moment 21.87 ± 1.08 D
Volume 482.32 Å 3
Surface Area 370.25 Å 2
HOMO Energy -7.57 ± 0.55 eV
LUMO Energy -2.26 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(3s)-3-amino-4-hydroxy-4-keto-butyl]-1-[(5s)-5-amino-6-hydroxy-6-keto-hexyl]-4-[(2s)-2-amino-3-hydroxy-3-keto-propyl]pyridin-1-ium-3-olate
  • 5-[(3s)-3-amino-4-hydroxy-4-oxo-butyl]-1-[(5s)-5-amino-6-hydroxy-6-oxo-hexyl]-4-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]pyridin-1-ium-3-olate
  • 5-[(3s)-3-amino-4-hydroxy-4-oxobutyl]-1-[(5s)-5-amino-6-hydroxy-6-oxohexyl]-4-[(2s)-2-amino-3-hydroxy-3-oxopropyl]-3-pyridin-1-iumolate
  • 5-[(3s)-3-amino-4-hydroxy-4-oxobutyl]-1-[(5s)-5-amino-6-hydroxy-6-oxohexyl]-4-[(2s)-2-amino-3-hydroxy-3-oxopropyl]pyridin-1-ium-3-olate
InChIKey ZAHDXEIQWWLQQL-IHRRRGAJSA-N
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