2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine

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For Research Use Only.

Category

Impurities

Cat.No.

NP3683

CAS

161599-46-8

Product Name

2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine

Structure

Product Details

Description

A metabolite of Capecitabine.

Synonyms

5'-Deoxy-5-fluoro-cytidine 2',3'-Diacetate; 2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine; 5'-Deoxy-2',3'-di-O-acetyl-5-fluorocytidine; 2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-D-cytidine; 1-(2,3-Di-O-acetyl-5-deoxy-beta-D-ribofuranosyl)-4-amino-5-fluoropyrimidin-2(1H)-one; (2R,3R,4R,5R)-2-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-5-methyl-tetrahydrofuran-3,4-diyl diacetate; Capecitabine Diacetyl Amino Impurity (USP)

IUPAC Name

[(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate

Molecular Weight

329.29

Molecular Formula

C13H16FN3O6

Canonical SMILES

CC1C(C(C(O1)N2C=C(C(=NC2=O)N)F)OC(=O)C)OC(=O)C

InChI

InChI=1S/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10-,12-/m1/s1

InChIKey

NWJBWNIUGNXJGO-RPULLILYSA-N

Boiling Point

427.4±55.0°C (Predicted)

Melting Point

196-198˚C

Purity

≥97% by HPLC

Density

1.57±0.1 g/cm3 (Predicted)

Solubility

Soluble in Chloroform (Slightly), Methanol (Slightly)

Appearance

White to Off-White Solid

Storage

Store at -20°C

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