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

Basic Information

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CAS Number

161599-46-8

Molecular Formula

C13H16FN3O6

Molecular Weight

329.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C(F)=C2)N)=O)O1)OC(C)=O)OC(C)=O

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

LogP

-0.25470000000000037

Topological Polar Surface Area

122.74000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Synonyms & References

English

(2R,3R,4R,5R)-2-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-5-methyltetrahydrofuran-3,4-diyl diacetate

MDL Number

MFCD07369302

FAQ

What is 2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine (CAS: 161599-46-8)?

2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine is a synthetic nucleoside derivative with the chemical formula C10H13F2N3O7. It contains a fluorine atom at the 5' position and acetyl groups at the 2' and 3' positions. This compound is known for its stability and is commonly used in biochemical research for studying nucleoside analogs and their interactions with enzymes.

What are the main uses of 2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine (CAS: 161599-46-8)?

2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine is primarily used in pharmaceutical research as a precursor for developing antiviral and antitumor agents. It also finds applications in nucleic acid studies, drug metabolism analysis, and as a tool in biochemical assays to examine enzyme activity and substrate specificity.

Is 2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine (CAS: 161599-46-8) safe?

2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine is generally considered safe when handled properly in controlled laboratory environments. However, it should be treated with caution as it may pose health risks if inhaled, ingested, or absorbed through the skin. Safety data sheets (SDS) should be consulted, and appropriate personal protective equipment (PPE) is recommended during handling.

How should 2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine (CAS: 161599-46-8) be stored?

This compound should be stored in a cool, dry, and dark place, preferably at 2-8°C. It is sensitive to moisture and light, so it should be kept in airtight containers and protected from direct exposure. Maintaining stable storage conditions is essential to preserve its chemical integrity and effectiveness for research purposes.