Analyte Name

4'-Ester with beta-D-Fructofuranosyl alpha-D-Glucopyranoside-L-Arabinose-2-(dihydrogen Phosphate) Monosodium

CAS Number

92590-11-9

Molecular Formula

C17H31O18P.Na

Molecular Weight

577.38

Accurate Mass

577.11

SMILES

O([C@@]1(CO)[C@@H](O)[C@H](OP(O[C@H]([C@H]([C@H](CO)O)O)C=O)(=O)O)[C@@H](CO)O1)[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O.[Na]

InChI

InChI=1S/C17H31O18P.Na/c18-1-6(23)10(24)8(3-20)34-36(29,30)35-14-9(4-21)32-17(5-22,15(14)28)33-16-13(27)12(26)11(25)7(2-19)31-16;/h3,6-16,18-19,21-28H,1-2,4-5H2,(H,29,30);/t6-,7+,8-,9+,10-,11+,12-,13+,14+,15-,16+,17-;/m0./s1

IUPAC

(2R,3S,4S,5S)-4-Hydroxy-2,5-bis(hydroxymethyl)-5-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydrofuran-3-yl ((2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl) Hydrogen Phosphate Sodium Salt

Country of Origin

CANADA

Product Format

Neat