Analyte Name

Allitol 6-Phosphate Barium salt

Molecular Formula

C6H15O9P.Ba

Molecular Weight

399.48

SMILES

OC[C@H]([C@H]([C@H]([C@H](COP(O)(O)=O)O)O)O)O.[Ba+2]

InChI

InChI=1S/C6H15O9P.Ba/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h3-11H,1-2H2,(H2,12,13,14);/q;+2/t3-,4+,5-,6+;/m1./s1

IUPAC

barium(2+);[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] dihydrogen phosphate

Alternate CAS Number

136030-13-2

Country of Origin

CANADA

Product Format

Neat