3-Methyl-1-phenyl-1H-pyrazol-5-yl Beta-D-Glucopyranosiduronic Acid Methyl Ester 2,3,4-Triacetate

Analyte Name

3-Methyl-1-phenyl-1H-pyrazol-5-yl beta-D-Glucopyranosiduronic Acid Methyl Ester 2,3,4-Triacetate

CAS Number

663618-33-5

Molecular Formula

C23H26N2O10

Molecular Weight

490.46

Accurate Mass

490.1587

SMILES

COC(=O)[C@H]1O[C@@H](Oc2cc(C)nn2c3ccccc3)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C23H26N2O10/c1-12-11-17(25(24-12)16-9-7-6-8-10-16)34-23-21(33-15(4)28)19(32-14(3)27)18(31-13(2)26)20(35-23)22(29)30-5/h6-11,18-21,23H,1-5H3/t18-,19-,20-,21+,23+/m0/s1

IUPAC

methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(5-methyl-2-phenylpyrazol-3-yl)oxyoxane-2-carboxylate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat