Analyte Name

5-((1-Carboxyethenyl)oxy)-3-(phosphonooxy) Shikimic Acid Tetrasodium Salt

CAS Number

99685-44-6

Molecular Formula

C10 H9 Na4 O10 P

Molecular Weight

412.105

Accurate Mass

411.952

SMILES

OC1C(CC(=C[C@H]1OP(=O)(O[Na])O[Na])C(=O)O[Na])OC(=C)C(=O)O[Na]

InChI

InChI=1S/C10H13O10P.4Na/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18;;;;/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18);;;;/q;4*+1/p-4/t6?,7-,8?;;;;/m1..../s1

IUPAC

[(3R)-3-disodiooxyphosphoryloxy-4-hydroxy-5-(3-oxo-3-sodiooxyprop-1-en-2-yl)oxycyclohexene-1-carbonyl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat