149458-08-2 , Chondroitin disaccharide 6S sodium salt ; Dermatan sulfate disaccharide sodium salt

149458-08-2 , Chondroitin disaccharide 6S sodium salt ;
Dermatan sulfate disaccharide sodium salt
C14H21NO15S·2Na / 521.36
MFCD00153947

Chondroitin disaccharide 6S sodium salt ;

Dermatan sulfate disaccharide sodium salt

CAS Number	149458-08-2
Product Name	Disodium;(2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
IUPAC Name	disodium;(2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Molecular Formula	C14H21NNa2O15S
Molecular Weight	521.4 g/mol
InChI	InChI=1S/C14H23NO15S.2Na/c1-3(16)15-5-10(6(17)4(28-13(5)23)2-27-31(24,25)26)29-14-9(20)7(18)8(19)11(30-14)12(21)22;;/h4-11,13-14,17-20,23H,2H2,1H3,(H,15,16)(H,21,22)(H,24,25,26);;/q;2*+1/p-2/t4-,5-,6+,7+,8+,9-,10-,11+,13?,14-;;/m1../s1
InChI Key	CGZIJWOVZKENCB-GCZRULLGSA-L
SMILES	CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)[O-])O)OC2C(C(C(C(O2)C(=O)[O-])O)O)O.[Na+].[Na+]
Canonical SMILES	CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)[O-])O)OC2C(C(C(C(O2)C(=O)[O-])O)O)O.[Na+].[Na+]
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)COS(=O)(=O)[O-])O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O.[Na+].[Na+]