Tìm theo
3,5-Diiodotyrosine
Thuốc Gốc
Small Molecule
CAS: 300-39-0
CTHH: C9H9I2NO3
PTK: 432.9816
A product from the iodination of MONOIODOTYROSINE. In the biosynthesis of thyroid hormones, diiodotyrosine residues are coupled with other monoiodotyrosine or diiodotyrosine residues to form T4 or T3 thyroid hormones (THYROXINE and TRIIODOTHYRONINE). [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H9I2NO3
Phân tử khối
432.9816
Monoisotopic mass
432.867179999
InChI
InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
InChI Key
InChIKey=NYPYHUZRZVSYKL-ZETCQYMHSA-N
IUPAC Name
(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
Traditional IUPAC Name
3,5-diiodotyrosine
SMILES
[H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O
Độ hòa tan
617 mg/L (at 25 °C)
logP
0.37
logS
-2.9
pKa (strongest acidic)
0.48
pKa (Strongest Basic)
9.45
PSA
83.55 Å2
Refractivity
73.82 m3·mol-1
Polarizability
29.1 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03374
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=9305
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507686
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C01060
ChemSpider
http://www.chemspider.com/Chemical-Structure.8946.html
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