3'-Sialyllactose Sodium Salt

Analyte Name

3'-Sialyllactose Sodium Salt

CAS Number

128596-80-5

Molecular Formula

C23 H38 N O19 . Na

Molecular Weight

655.53

Accurate Mass

655.1936

SMILES

[Na+].CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)OC(O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)[O-]

InChI

InChI=1S/C23H39NO19.Na/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33;/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38);/q;+1/p-1/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20?,21?,23-;/m0./s1

IUPAC

sodium;(2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate

Alternate CAS Number

Free acid: 35890-38-1

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Sialyllactose

Purity

>95% (HPLC)