136132-72-4 , Chondroitin disaccharide 6S sodium salt ; Dermatan sulfate disaccharide sodium salt

136132-72-4 , 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	136132-72-4
Product Name	Disodium 2-acetamido-2-deoxy-3-O-(4-deoxy-L-threo-hex-4-enopyranuronosyl)-6-O-sulfonato-D-galactopyranose
IUPAC Name	disodium;(3R,4S)-2-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
Molecular Formula	C14H19NNa2O14S
Molecular Weight	503.3 g/mol
InChI	InChI=1S/C14H21NO14S.2Na/c1-4(16)15-8-11(10(19)7(27-13(8)22)3-26-30(23,24)25)29-14-9(18)5(17)2-6(28-14)12(20)21;;/h2,5,7-11,13-14,17-19,22H,3H2,1H3,(H,15,16)(H,20,21)(H,23,24,25);;/q;2*+1/p-2/t5-,7+,8+,9+,10-,11+,13?,14?;;/m0../s1
InChI Key	JLCMHASLMZGEFC-KHMUHUMZSA-L
SMILES	CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)[O-])O)OC2C(C(C=C(O2)C(=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.[Na+].[Na+]
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)COS(=O)(=O)[O-])O)OC2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)O.[Na+].[Na+]