4-Methylumbelliferyl a-L-Idopyranosiduronic Acid 2-Sulfate Disodium Salt

Analyte Name

4-Methylumbelliferyl Alpha-L-Idopyranosiduronic Acid 2-Sulfate Disodium Salt

CAS Number

2181774-46-7

Molecular Formula

C16H14Na2O12S

Molecular Weight

476.32

Accurate Mass

476

SMILES

CC(C1=CC=C2O[C@H]3[C@@H]([C@@H](O)[C@H](O)[C@H](C(O[Na])=O)O3)OS(=O)(O[Na])=O)=CC(OC1=C2)=O

InChI

InChI=1S/C16H16O12S.2Na/c1-6-4-10(17)26-9-5-7(2-3-8(6)9)25-16-14(28-29(22,23)24)12(19)11(18)13(27-16)15(20)21;;/h2-5,11-14,16,18-19H,1H3,(H,20,21)(H,22,23,24);;/q;2*+1/p-2/t11-,12-,13+,14+,16+;;/m0../s1

IUPAC

sodium (2R,3S,4S,5R,6S)-3,4-dihydroxy-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(sulfonatooxy)tetrahydro-2H-pyran-2-carboxylate

Alternate CAS Number

1045020-74-3 - Sodium Salt1045348-22-8 - Free Acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)