Galactosylpyridinoline
Basic information
- CAS
87672-07-9- Standard SMILES
NC(CCc1c[n+](CC(CCC(N)C(=O)O)OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(O)c1CC(N)C(=O)O)C(=O)[O-]- InChIKey
JSIZNMXPORTGJM-DNFNYBGQSA-N- Molecular formula
- C24H38N4O13
- Average molar mass
- 590.6 g/mol
- Monoisotopic mass
- 590.24353728
Names & identifiers
- Preferred name
- Galactosylpyridinoline
- 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
Names & synonyms
GalactosylpyridinolinePyridinoline galactoside87672-07-9Pyridinium, 4-(2-amino-2-carboxyethyl)-1-(5-amino-5-carboxy-2-(galactosyloxy)pentyl)-3-(3-amino-3-carboxypropyl)-5-hydroxy-, hydroxide, inner saltRefChem:1421452-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
Database identifiers
- CAS
87672-07-9- PubChem CID
- 137339
Properties
Computed structural properties
- XLogP
- -10.2
- Topological polar surface area
- 316 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 15
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 864
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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