N-acetylglucosaminyl(beta1-3)-N-acetylglucosaminyl(1-6)-galactopyranosyl(1-4)-N-acetylglucosamine
Basic information
- CAS
127212-19-5- Standard SMILES
CC(=O)N[C@H]1[C@H](OCC2O[C@@H](O[C@@H]([C@H](O)[C@H](C=O)NC(C)=O)[C@H](O)CO)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
SLBVJFUSIXXMDM-AVCFIVELSA-N- Molecular formula
- C30H51N3O21
- Average molar mass
- 789.7 g/mol
- Monoisotopic mass
- 789.30150564
Names & identifiers
- Preferred name
- N-acetylglucosaminyl(beta1-3)-N-acetylglucosaminyl(1-6)-galactopyranosyl(1-4)-N-acetylglucosamine
- IUPAC
- N-[(2R,3R,4R,5S,6R)-2-[[(3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- English name
- N-acetylglucosaminyl(beta1-3)-N-acetylglucosaminyl(1-6)-galactopyranosyl(1-4)-N-acetylglucosamine
- Molecular formula
- C30H51N3O21
- Molecular weight
- 789.73344
Names & synonyms
Glcnac-glcnac-gal-glcnacN-Acetylglucosaminyl(beta1-3)-N-acetylglucosaminyl(1-6)-galactopyranosyl(1-4)-N-acetylglucosamineGlcnac(beta1-3)glcnac(beta1-6)gal(beta1-4)glcnacRefChem:162734127212-19-5DTXSID809258232-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl-(1->3)-[2-deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl-(1->6)]-(5xi)-alpha-L-arabino-hexopyranosyl-(1->4)-2-deoxy-2-[(1-hydroxyethylidene)amino]-D-glucose2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl-(1->3)-[2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl-(1->6)]hexopyranosyl-(1->4)-2-deoxy-2-[(1-hydroxyethylidene)amino]hexoseD-Glucose, O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-3)-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-6))-O-beta-D-galactopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-N-[(2R,3R,4R,5S,6R)-2-[[(3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Properties
Computed structural properties
- XLogP
- -8.8
- Topological polar surface area
- 382 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 17
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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