126938-14-5 , 4-Methylumbelliferyl b-D-galactopyranoside-6-sulphate sodium salt

126938-14-5 , 4-Methylumbelliferyl b-D-galactopyranoside-6-sulphate sodium salt
C16H17NaO11S / 440.36
MFCD01861961

4-Methylumbelliferyl b-D-galactopyranoside-6-sulphate sodium salt

CAS Number	126938-14-5
Product Name	[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl hydrogen sulfate
IUPAC Name	[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl hydrogen sulfate
Molecular Formula	C16H18O11S
Molecular Weight	418.4 g/mol
InChI	InChI=1S/C16H18O11S/c1-7-4-12(17)26-10-5-8(2-3-9(7)10)25-16-15(20)14(19)13(18)11(27-16)6-24-28(21,22)23/h2-5,11,13-16,18-20H,6H2,1H3,(H,21,22,23)/t11-,13+,14+,15-,16-/m1/s1
InChI Key	PAMBMLAUEGWIPT-DZQJYWQESA-N
SMILES	CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)COS(=O)(=O)O)O)O)O
Synonyms	4-methylumbelliferyl-6-sulfogalactoside, 4-methylumbelliferyl-6-thiogalactoside, 4-UBSG
Canonical SMILES	CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)COS(=O)(=O)O)O)O)O
Isomeric SMILES	CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COS(=O)(=O)O)O)O)O