Dermatan Sulfate
Basic information
- CAS
24967-94-0- Standard SMILES
CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OS(=O)(=O)[O-])[C@@H](CO)O[C@H]1O- InChIKey
AVJBPWGFOQAPRH-FWMKGIEWSA-L- Molecular formula
- C14H21NO15S-2
- Average molar mass
- 475.4 g/mol
- Monoisotopic mass
- 475.06319014
Overview
Dermatan sulfate polyanion is the conjugate base of dermatan sulfate, obtained by deprotonation of carboxy and sulfate groups. It is a monocarboxylic acid anion, an organosulfate oxoanion and a polyanionic polymer. It is a conjugate base of a dermatan sulfate.
Names & identifiers
- Preferred name
- Dermatan Sulfate
- IUPAC
- (2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
- English name
- CHONDROITIN SULFATE SODIUM SALT BOVINE(RG)
- Molecular formula
- H2O.(C14H20NO13S)n
- Molecular weight
- 0
Names & synonyms
DERMATAN SULFATEChondroitin sulfate Bbeta-HeparinDermatan sulphate24967-94-0Dermatan hydrogen sulfateChondroitinsulfuric acid type BDermatan, 4-(hydrogen sulfate)Dermatan sulfate, low molecular weightbeta HeparinSulfate, DermatanSulfate B, Chondroitin
Show more names
DS 435MF 701Desmin 370Dermatan surfateDermatan polysulfateDS 435 (polysaccharide)MF 701 (polysaccharide)
DTXSID40179683RefChem:388920J3OC7JVS54CHEBI:18376246-552-8Dermatan L-iduronate(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylateDermatan 4-sulfate
Database identifiers
- CAS
24967-94-0- PubChem CID
- 32756
- ChEMBL
Properties
Computed structural properties
- XLogP
- -4.3
- Topological polar surface area
- 273 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- -2
- Complexity
- 736
Physicochemical properties
- alpha
- -60 to · D -60 to -70°
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationDermatan, hydrogen sulfate (ester): Does not have an individual approval but may be used under an appropriate group standard
Toxicology
Drug Induced Liver Injury
Benchmark Dataset for the Liver Toxicity Knowledge Base (LTKB)
dermatan
Aclotan
Antithrombotics
Not Applicable is only true for the label characterization, but not for the DILI severity
most-DILI-concern
Chemistry & industry
Pharmacology
ATC Code
B - Blood and blood forming organs
QB - Blood and blood forming organs
MeSH Pharmacological ClassificationAgents that prevent BLOOD CLOTTING.
Additional notes
DefinitionChEBI: Dermatan sulfate polyanion is the conjugate base of dermatan sulfate, obtained by deprotonation of carboxy and sulfate groups. It is a monocarboxylic acid anion, an organosulfate oxoanion and a polyanionic polymer. It is a conjugate base of a dermatan sulfate.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…