CAS 220141-70-8|CAS 207291-81-4|5-fluoroorotic acid hydrate|5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate|5-Fluoroorotic acid monohydrate|5-FOA|5-Fluoroorotic acid monohy...

General Information

Structure

Molecular Formula

C₅H₅FN₂O₅

Molecular Mass

192.1020032

Exact Mass

192.01824949

Charge

InChI

InChI=1S/C5H3FN2O4.H2O/c6-1-2(4(10)11)7-5(12)8-3(1)9;/h(H,10,11)(H2,7,8,9,12);1H2

InChIKey

LODRRYMGPWQCTR-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

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 name

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

Synonyms

5-Fluoroorotic acid monohydrate5-Fluoroorotic acid monohydrate 98%5-FOA5-Fluoroorotic acid hydrate5-Fluor-uracil-4-carbonsäure2,6-Dihydroxy-5-fluor-pyrimidin-4-carbonsäure5-Fluorouracil-4-carboxylic acid2,6-Dihydroxy-5-fluoropyrimidine-4-carboxylic acid5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate

IUPAC Traditional name

5-fluoroorotic acid hydrate

Names and Identifiers

Registration numbers

PubChem SID

160973023248666132489487724870769

CAS Number

220141-70-8207291-81-4

PubChem CID

16212749

MDL Number

MFCD00150658

EC Number

211-876-0

Registration numbers

Properties

Physical Property

Melting Point

278°C

255(dec.)°C

278 °C (dec.)(lit.)

Solubility

4 M NH4OH: soluble50 mg/mL, clear, faintly yellow

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

PC4054

Useful in the selection of orotidine-5'-phosphatedecarboxylase mutants in Saccharomycescerevisiae: Genetics, 1984, 107, 179.

Sigma Aldrich

F5013

Application
Useful in the selection of orotidine-5′-phosphate decarboxylase mutants of Saccharomyces cerevisiae.
包装
1 g in poly bottle
50, 250 mg in poly bottle

425133

Application
Useful in the selection of orotidine-5′-phosphate decarboxylase mutants of Saccharomyces cerevisiae.
Packaging
50, 250 mg in glass bottle

47190

Application
Useful in the selection of orotidine-5′-phosphate decarboxylase mutants of Saccharomyces cerevisiae.
Other Notes
Selective agent in yeast molecular genetics1

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

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

Synonyms

IUPAC Traditional name

5-fluoroorotic acid hydrate

Registration numbers

PubChem SID

160973023248666132489487724870769

CAS Number

220141-70-8207291-81-4

PubChem CID

16212749

MDL Number

MFCD00150658

EC Number

211-876-0

Properties

Physical Property

Melting Point

278°C

255(dec.)°C

278 °C (dec.)(lit.)

Solubility

4 M NH4OH: soluble50 mg/mL, clear, faintly yellow

Molecule Details

Apollo Scientific

PC4054

Useful in the selection of orotidine-5'-phosphatedecarboxylase mutants in Saccharomycescerevisiae: Genetics, 1984, 107, 179.

Sigma Aldrich

F5013

Application
Useful in the selection of orotidine-5′-phosphate decarboxylase mutants of Saccharomyces cerevisiae.
包装
1 g in poly bottle
50, 250 mg in poly bottle

425133

Application
Useful in the selection of orotidine-5′-phosphate decarboxylase mutants of Saccharomyces cerevisiae.
Packaging
50, 250 mg in glass bottle

47190

Application
Useful in the selection of orotidine-5′-phosphate decarboxylase mutants of Saccharomyces cerevisiae.
Other Notes
Selective agent in yeast molecular genetics1

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Molecule

ID:9716