D-Gluconic acid, 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate] Chemical Properties

Boiling point:

801.9±65.0 °C(Predicted)

Density 

1.659±0.06 g/cm3(Predicted)

pka

3.32±0.35(Predicted)

InChI

InChI=1S/C15H18O10/c16-8-3-1-7(5-9(8)17)2-4-11(19)25-6-10(18)12(20)13(21)14(22)15(23)24/h1-5,10,12-14,16-18,20-22H,6H2,(H,23,24)/b4-2+/t10-,12-,13+,14-/m1/s1

InChIKey

IZTWJFXKOMYWBU-XAVAJTHBSA-N

SMILES

C(O)(=O)[C@@H]([C@H]([C@@H]([C@@H](COC(=O)/C=C/C1=CC=C(O)C(O)=C1)O)O)O)O

D-Gluconic acid, 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate] Usage And Synthesis

Uses

trans-Caffeoyl-6-O-D-gluconic acid is a natural product, that can be isolated from the nearly ripe fruits of Evodia rutaecarpa (Juss.) Benth.[1].

References

[1] He Y, et al. A new caffeoylgluconic acid derivative from the nearly ripe fruits of Evodia rutaecarpa. Nat Prod Res. 2015;29(13):1243-8. DOI:10.1080/14786419.2015.1024116