ER-878898

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For Research Use Only.

Category

Impurities

Cat.No.

NP3158

CAS

122111-11-9

Product Name

ER-878898

Structure

Product Details

Description

Gemcitabine intermediate.

Synonyms

2-Deoxy-2,2-difluoro-D-erythro-pentofuranose-3,5-dibenzoate 1-Methanesulfonate

IUPAC Name

[(2R,3R)-3-benzoyloxy-4,4-difluoro-5-methylsulfonyloxyoxolan-2-yl]methyl benzoate

Molecular Weight

456.41

Molecular Formula

C20H18F2O8S

Canonical SMILES

CS(=O)(=O)OC1C(C(C(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)(F)F

InChI

InChI=1S/C20H18F2O8S/c1-31(25,26)30-19-20(21,22)16(29-18(24)14-10-6-3-7-11-14)15(28-19)12-27-17(23)13-8-4-2-5-9-13/h2-11,15-16,19H,12H2,1H3

InChIKey

LIAQHZDWFACWFK-UHFFFAOYSA-N

Boiling Point

482.7ºC at 760 mmHg

Melting Point

66-74°C

Purity

97%

Density

1.464 g/cm3

Solubility

Chloroform; Methanol

Appearance

Off-White to Pale Yellow Solid

Application

Gemcitabine intermediate.

Form

Powder

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