3-​Methylglutaric Anhydride

Analyte Name

3-Methylglutaric Anhydride

CAS Number

4166-53-4

Molecular Formula

C31 H32 N2 O8

Molecular Weight

560.594

Accurate Mass

560.216

SMILES

COC1C(O)[C@@H](COC(c2ccccc2)(c3ccc(OC)cc3)c4cccc(OC)c4)O[C@H]1N5C=CC(=O)NC5=O

InChI

InChI=1S/C31H32N2O8/c1-37-23-14-12-21(13-15-23)31(20-8-5-4-6-9-20,22-10-7-11-24(18-22)38-2)40-19-25-27(35)28(39-3)29(41-25)33-17-16-26(34)32-30(33)36/h4-18,25,27-29,35H,19H2,1-3H3,(H,32,34,36)/t25-,27?,28?,29-,31?/m1/s1

IUPAC

1-[(2R,5R)-4-hydroxy-3-methoxy-5-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat