Basic information
- CAS
67412-79-7- Standard SMILES
N[C@@H](CO[C@@H]1OCC(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(=O)O- InChIKey
WXDKIEQFULDJDL-YNKJQRNTSA-N- Molecular formula
- C14H25NO12
- Average molar mass
- 399.35 g/mol
- Monoisotopic mass
- 399.13767523
Overview
carbohydrate-protein linkage region fragment from connective tissue proteoglycans
Names & identifiers
- Preferred name
- O-beta-galactopyranosyl-(1-4)-O-beta-xylopyranosyl-(1-0)-serine
- IUPAC
- (2S)-2-amino-3-[(2R,3R,4R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropanoic acid
Names & synonyms
Gal-xyl-serO-beta-Galactopyranosyl-(1-4)-O-beta-xylopyranosyl-(1-0)-serineBeta-D-Gal(6S)-(1-4)beta-D-Xyl(ZP)-SerRefChem:16715467412-79-7(2S)-2-amino-3-[(2R,3R,4R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropanoic acidSCHEMBL31456349L-Serine, O-(4-O-beta-D-galactopyranosyl-beta-D-xylopyranosyl)-
Database identifiers
- CAS
67412-79-7- PubChem CID
- 125652
Properties
Computed structural properties
- XLogP
- -7.2
- Topological polar surface area
- 222 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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