Analyte Name

Sodium (2S,3S,4S,5R,6R)-6-(((3R,4R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate

Molecular Formula

C14 H22 N O12 . Na

Molecular Weight

419.31

Accurate Mass

419.104

SMILES

O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2C(O)[C@@H](CO)OC(O)[C@@H]2NC(C)=O)O[C@@H]1C(O[Na])=O

InChI

InChI=1S/C14H23NO12.Na/c1-3(17)15-5-10(6(18)4(2-16)25-13(5)24)26-14-9(21)7(19)8(20)11(27-14)12(22)23;/h4-11,13-14,16,18-21,24H,2H2,1H3,(H,15,17)(H,22,23);/q;+1/p-1/t4-,5-,6?,7+,8+,9-,10-,11+,13?,14-;/m1./s1

IUPAC

[(2S,3S,4S,5R,6R)-6-[(3R,4R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carbonyl]oxysodium

Alternate CAS Number

97747-46-1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat