CAS 403-90-7|CAS 139-26-4|3-fluorotyrosine|3-Fluoro-DL-tyrosine 97%|2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid|pardinon|m-Fluoro-DL-tyrosine|间氟-DL-酪氨酸|2-amino-3-(3-fluoro-4-hydroxypheny...

General Information

Structure

Molecular Formula

C₉H₁₀FNO₃

Molecular Mass

199.1790032

Exact Mass

199.06447141

Charge

InChI

InChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)

InChIKey

VIIAUOZUUGXERI-UHFFFAOYSA-N

Canonic Smiles

OC(=O)C(Cc1ccc(c(c1)F)O)N

Isomeric Smiles

Oc1c(cc(cc1)CC(C(=O)O)N)F

Calculated Properties

JChem

Acid pKa

1.5659343

H Acceptors

H Donor

LogD (pH = 5.5)

-1.3463511

LogD (pH = 7.4)

-1.389644

Log P

-1.3460473

Molar Refractivity

47.3136

Polarizability

18.269928

Polar Surface Area

83.55

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

3-fluorotyrosine pardinon 2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid

Synonyms

3-Fluoro-DL-tyrosine 97%m-Fluoro-DL-tyrosine间氟-DL-酪氨酸3-氟-DL-酪氨酸3-Fluoro-DL-tyrosineH-DL-Tyr(3-F)-OHFluorotyrosine

IUPAC name

2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

PubChem SID

PubChem CID

Beilstein Number

Registration numbers

Properties

Physical Property

Melting Point

280(dec.)°C

280 °C (dec.)(lit.)

ca 280°C dec.

Product Information

FC6H3-4-(OH)CH2CH(NH2)CO2H

98%

Pharmacology Properties

Antithyroid

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

暂无数据

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References

PubChem Literature

From Data Sources

• Nagasawa, T. et al. , Eur. J. Biochem. , 1981, 117 , 33, (synth)

• McCord, T.J. et al. , J. Med. Chem. , 1975, 18 , 26, (synth)

• Chirakel, R. et al. , J. Fluorine Chem. , 1987, 37 , 267, (synth)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

3-fluorotyrosine pardinon 2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid

Synonyms

3-Fluoro-DL-tyrosine 97%m-Fluoro-DL-tyrosine间氟-DL-酪氨酸3-氟-DL-酪氨酸3-Fluoro-DL-tyrosineH-DL-Tyr(3-F)-OHFluorotyrosine

IUPAC name

2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid

Registration numbers

MDL Number

CAS Number

EC Number

PubChem SID

PubChem CID

Beilstein Number

References

PubChem Literature

From Data Sources

• Nagasawa, T. et al. , Eur. J. Biochem. , 1981, 117 , 33, (synth)

• McCord, T.J. et al. , J. Med. Chem. , 1975, 18 , 26, (synth)

• Chirakel, R. et al. , J. Fluorine Chem. , 1987, 37 , 267, (synth)

Bioactivity

PubChem BioAssay

Properties

Physical Property

Melting Point

280(dec.)°C

280 °C (dec.)(lit.)

ca 280°C dec.

Product Information

FC6H3-4-(OH)CH2CH(NH2)CO2H

98%

Pharmacology Properties

Antithyroid

Molecule

ID:97339