6,8-Difluoro-4-methyl-2-oxo-2H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid

CAS Registry Number®

215868-36-3

CAS Name

6,8-Difluoro-4-methyl-2-oxo-2H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid

Molecular Formula

C16H14F2O9

Molecular Mass

388.27

Cite this Page

6,8-Difluoro-4-methyl-2-oxo-2H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=215868-36-3 (retrieved 2025-07-30) (CAS RN: 215868-36-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H14F2O9/c1-4-2-7(19)25-12-5(4)3-6(17)13(8(12)18)26-16-11(22)9(20)10(21)14(27-16)15(23)24/h2-3,9-11,14,16,20-22H,1H3,(H,23,24)/t9-,10-,11+,14-,16+/m0/s1

InChIKey

InChIKey=LVLGIZFLZFCLMY-LGDVELKSSA-N

SMILES

FC1=C2C(=CC(F)=C1O[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O)C(C)=CC(=O)O2

Canonical SMILES

O=C(O)C1OC(OC=2C(F)=CC3=C(OC(=O)C=C3C)C2F)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 6,8-difluoro-4-methyl-2-oxo-2H-1-benzopyran-7-yl
  • 6,8-Difluoro-4-methyl-2-oxo-2H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid

CAS INSIGHTSTM
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