4,4'-((1R,1'R)-((oxybis(hexane-6,1-diyl))bis(azanediyl))bis(1-hydroxyethane-2,1-diyl))bis(2-(hydroxymethyl)phenol) di-2,2,2-triphenylacetic acid salt

Analyte Name

4,4'-((1R,1'R)-((oxybis(hexane-6,1-diyl))bis(azanediyl))bis(1-hydroxyethane-2,1-diyl))bis(2-(hydroxymethyl)phenol) di-2,2,2-triphenylacetic acid salt

Molecular Formula

C30 H48 N2 O7 . 2 C20 H16 O2

Molecular Weight

1125.391

Accurate Mass

1124.576

SMILES

OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2.OC(=O)C(c3ccccc3)(c4ccccc4)c5ccccc5.OC(=O)C(c6ccccc6)(c7ccccc7)c8ccccc8

InChI

InChI=1S/C30H48N2O7.2C20H16O2/c33-21-25-17-23(9-11-27(25)35)29(37)19-31-13-5-1-3-7-15-39-16-8-4-2-6-14-32-20-30(38)24-10-12-28(36)26(18-24)22-34, 2*21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h9-12,17-18,29-38H,1-8,13-16,19-22H2, 2*1-15H,(H,21,22)/t29-,30-, , /m0../s1

IUPAC

4-[(1R)-1-hydroxy-2-[6-[6-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexoxy]hexylamino]ethyl]-2-(hydroxymethyl)phenol;2,2,2-triphenylacetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat