Molecular Identity
Chondroitin Sulfate
(2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
PubChem CID: 24766
2D Structure
Properties
C13H21NO15S
Molecular Formula
463.37
Molecular Weight
g/mol
463.0632
Exact Mass
Da
-4.8
XLogP
Drug-like (Lipinski: < 5)
267
TPSA
May have limited oral absorption
8
H-Bond Donors
15
H-Bond Acceptors
739
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)NC1C(C(C(OC1O)OS(=O)(=O)O)O)OC2C(C(C(C(O2)C(=O)O)O)O)OIsomeric SMILES
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)OS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)OSynonyms(20)
Chondroitin sulfate9007-28-7Chondroitin, hydrogen sulfateCHEBI:37397(2S,3S,4S,5R,6R)-6-{[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid(2S,3S,4S,5R,6R)-6-(((2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxy)oxan-4-yl)oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidRefChem:7109DTXSID8031021Chondroitine sulfateChondroitin 4-sulfate sodium salt(2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidSodium chondroitin sulfateMFCD00146419CondrosulfChondroitinsulfate C
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Chondroitin Sulfate
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