Chondroitin Sulfate Trisaccharide
[CAS# 71901-46-7]

Identification

• Name: Chondroitin Sulfate Trisaccharide
• Synonyms: (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-(Sulfooxymethyl)Tetrahydropyran-2-Yl]Oxy-6-[(1R,2S,3R)-1-[(1R)-1-Acetamido-2-Oxo-Ethyl]-2,3-Dihydroxy-4-Sulfooxy-Butoxy]-4,5-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4R,5R,6R)-3-[[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-(Sulfooxymethyl)-2-Tetrahydropyranyl]Oxy]-6-[(1R,2S,3R)-1-[(1R)-1-Acetamido-2-Oxoethyl]-2,3-Dihydroxy-4-Sulfooxybutoxy]-4,5-Dihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-(Sulfoxymethyl)Tetrahydropyran-2-Yl]Oxy-6-[(1R,2S,3R)-1-[(1R)-1-Acetamido-2-Keto-Ethyl]-2,3-Dihydroxy-4-Sulfoxy-Butoxy]-4,5-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₂H₃₆N₂O₂₃S₂
• Molecular Weight: 760.65
• CAS Registry Number: 71901-46-7
• SMILES: [C@@H](C=O)(NC(C)=O)[C@@H](O[C@@H]1O[C@H](C(O)=O)[C@H]([C@@H]([C@H]1O)O)O[C@@H]2O[C@H](CO[S](O)(=O)=O)[C@@H]([C@@H]([C@H]2NC(C)=O)O)O)[C@@H](O)[C@H](O)CO[S](O)(=O)=O
• InChI: 1S/C22H36N2O23S2/c1-6(26)23-8(3-25)17(12(29)9(28)4-42-48(36,37)38)45-22-16(33)15(32)18(19(47-22)20(34)35)46-21-11(24-7(2)27)14(31)13(30)10(44-21)5-43-49(39,40)41/h3,8-19,21-22,28-33H,4-5H2,1-2H3,(H,23,26)(H,24,27)(H,34,35)(H,36,37,38)(H,39,40,41)/t8-,9+,10+,11+,12-,13-,14+,15+,16+,17+,18-,19-,21-,22+/m0/s1
• InChIKey: JWWBQNVBYSWTKC-AZQDBXNISA-N

Properties

• Density: 1.846g/cm³ (Cal.)