Keratan
Basic information
- CAS
69992-87-6- Standard SMILES
CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O[C@@H]3O[C@H](COS(=O)(=O)O)C[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O- InChIKey
KXCLCNHUUKTANI-RBIYJLQWSA-N- Molecular formula
- C28H48N2O32S4
- Average molar mass
- 1,052.9 g/mol
- Monoisotopic mass
- 1,052.1073021
Names & identifiers
- Preferred name
- Keratan
- IUPAC
- [(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,6S)-3-acetamido-4-hydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methyl hydrogen sulfate
- English name
- (2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,6S)-3-acetami]
- Molecular formula
- C28H48N2O32S4
- Molecular weight
- 0
Names & synonyms
keratan(((2S,4S,5R,6S)-5-acetamido-6-(((2S,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-((sulfooxy)methyl)-6-(((2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-((sulfooxy)methyl)oxan-4-yl)oxy)oxan-3-yl)oxy)-3,5-dihydroxy-6-((sulfooxy)methyl)oxan-4-yl)oxy)-4-hydroxyoxan-2-yl)methoxy)sulfonic acid{[(2S,4S,5R,6S)-5-acetamido-6-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-[(sulfooxy)methyl]-6-{[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-[(sulfooxy)methyl]oxan-4-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-[(sulfooxy)methyl]oxan-4-yl]oxy}-4-hydroxyoxan-2-yl]methoxy}sulfonic acidGlyTouCan:G55755FTRefChem:1048322DTXSID701052754G55755FT69992-87-6Kerato sulphateKerato sulfatekerato 6'-sulfatekeratan 6'-sulfate
Show more names
(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,6S)-3-acetami]
Kerato 6'-sulphateKeratan 6'-sulphateKXCLCNHUUKTANI-RBIYJLQWSA-NH51814
Properties
Computed structural properties
- XLogP
- -10.1
- Topological polar surface area
- 552 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 32
- Rotatable bonds
- 20
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 2,080
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Tissue LocationsCartilage
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Compound notes
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