CAS 703-95-7|CAS 220141-70-8|5-fluoroorotic acid|5-FOA|5-FLUOROOROTIC ACID|5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid|5-Fluoroorotic Acid Monohydrate |5-氟乳清酸一水合物|5-Flu...

General Information

Structure

Molecular Formula

C₅H₃FN₂O₄

Molecular Mass

174.0867232

Exact Mass

174.00768481

Charge

InChI

InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)

InChIKey

SEHFUALWMUWDKS-UHFFFAOYSA-N

Canonic Smiles

O=c1[nH]c(=O)c(c([nH]1)C(=O)O)F

Isomeric Smiles

OC(=O)c1c(F)c(=O)[nH]c(=O)[nH]1

Calculated Properties

JChem

Acid pKa

2.2479122

H Acceptors

H Donor

LogD (pH = 5.5)

-4.11938

LogD (pH = 7.4)

-5.2564626

Log P

-1.0282216

Molar Refractivity

33.4775

Polarizability

12.184251

Polar Surface Area

95.5

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

5-fluoroorotic acid

Synonyms

5-FOA5-FLUOROOROTIC ACID5-Fluoroorotic Acid Monohydrate 5-氟乳清酸一水合物5-Fluorouracil-6-carboxylic acid monohydrate5-Fluoroorotic acid monohydrate5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyriMidine-4-carboxylic acid

IUPAC name

5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

Names and Identifiers

Registration numbers

EC Number

CAS Number

PubChem CID

PubChem SID

Beilstein Number

MDL Number

Merck Index

Registration numbers

Properties

Physical Property

Solubility

50mg in 1ml (1:1 Ammonium Hydroxide:Water) with Gentle Heating

Melting Point

>260°C (dec.)

ca 255°C dec.

Apperance

White to Off-White Solid

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02154210

(5-FOA) Purity: ≥98% Useful in the selection of orotidine-5'-phosphate decarboxylase mutants of Saccharomyces cerevisiae.

TRC

F595000

5-FOA has become a valuable tool for research in the field of molecular genetics. It has been employed in the selection of resistant strains of Saccharomyces cerevisiae that possess a mutant URA3 gene which renders them orotidine-5'-phosphate decarboxyla

Molecule Details

References

PubChem Literature

From Data Sources

• Winston, F., et al., Genetics, 107: 179 (1984).

• Winston, F., et al.: Genetics, 107, 179 (1984)

• Boeke, J.D., et al.: Methods Enzymol., 154, 164 (1984)

• Rathod, P.K., et al.: Antimicrob. Agents Chemother., 33, 1090 (1984)

• Rathod, P.K., et al.: Antimicrob. Agents Chemother., 36, 704 (1984)

• Gomez, Z.M .

• Reagent used in the selection of mutant URA3 gene strains of Saccharomyces Cerevisiae:Genetics, 107, 179 (1984); Methods Enzymol., 154, 164 (1987).

• Potential antimalarial agent: Antimicrob. Agents Chemother., 40, 914 (1996).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

5-fluoroorotic acid

Synonyms

IUPAC name

5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

Registration numbers

EC Number

CAS Number

PubChem CID

PubChem SID

Beilstein Number

MDL Number

Merck Index

Properties

Physical Property

Solubility

50mg in 1ml (1:1 Ammonium Hydroxide:Water) with Gentle Heating

Melting Point

>260°C (dec.)

ca 255°C dec.

Apperance

White to Off-White Solid

Molecule Details

MP Biomedicals

02154210

(5-FOA) Purity: ≥98% Useful in the selection of orotidine-5'-phosphate decarboxylase mutants of Saccharomyces cerevisiae.

TRC

F595000

References

PubChem Literature

From Data Sources

• Winston, F., et al., Genetics, 107: 179 (1984).

• Winston, F., et al.: Genetics, 107, 179 (1984)

• Boeke, J.D., et al.: Methods Enzymol., 154, 164 (1984)

• Rathod, P.K., et al.: Antimicrob. Agents Chemother., 33, 1090 (1984)

• Rathod, P.K., et al.: Antimicrob. Agents Chemother., 36, 704 (1984)

• Gomez, Z.M .

• Reagent used in the selection of mutant URA3 gene strains of Saccharomyces Cerevisiae:Genetics, 107, 179 (1984); Methods Enzymol., 154, 164 (1987).

• Potential antimalarial agent: Antimicrob. Agents Chemother., 40, 914 (1996).

Bioactivity

PubChem BioAssay

Molecule

ID:104036