Galactosylpyridinoline
2-amino-4-[4-(2-amino-2-carboxyethyl)-1-[5-amino-5-carboxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-5-hydroxypyridin-1-ium-3-yl]butanoate
Also Known As: Galactosylpyridinoline|Pyridinoline galactoside|2-amino-4-[4-(2-amino-2-carboxyethyl)-1-[5-amino-5-carboxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-5-hydroxypyridin-1-ium-3-yl]butanoate|Pyridinium, 4-(2-amino-2-carboxyethyl)-1-(5-amino-5-carboxy-2-(galactosyloxy)pentyl)-3-(3-amino-3-carboxypropyl)-5-hydroxy-, hydroxide, inner salt|2-amino-4-[4-(2-amino-3-hydroxy-3-oxopropyl)-1-[5-amino-6-hydroxy-6-oxo-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]-5-hydroxypyridin-1-ium-3-yl]butanoate
| Molecular Formula | C24H38N4O13 |
|---|---|
| Molecular Weight | 590.2435 g/mol |
| LogP | -10.2 |
| Topological Polar Surface Area | 316.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Exact Mass | 590.2435 |
| Monoisotopic Mass | 590.2435 |
| Heavy Atoms | 41 |
| Complexity | 864.0 |
Chemical Identifiers
| CAS Number | 87672-07-9 |
|---|---|
| SMILES | C1=C(C(=C(C=[N+]1CC(CCC(C(=O)O)N)OC2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)CC(C(=O)O)N)CCC(C(=O)[O-])N |
| InChIKey | JSIZNMXPORTGJM-DNFNYBGQSA-N |
Product Overview
Galactosylpyridinoline (CAS 87672-07-9), with molecular formula C24H38N4O13 and molecular weight 590.2435 g/mol. IUPAC: 2-amino-4-[4-(2-amino-2-carboxyethyl)-1-[5-amino-5-carboxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-5-hydroxypyridin-1-ium-3-yl]butanoate.