2820-50-0 (2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid,DL-3,3',5'-Triiodothyronine)

快速询单

结构式：

2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acidMOL文件

CAS号：

2820-50-0

中文名称：

2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid

英文名称：

DL-3,3',5'-Triiodothyronine

分子式：

C₁₅H₁₂I₃NO₄

分子量：

650.973501205444

2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid(2820-50-0)名称与标识符

名称

中文别名：

2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid;

英文别名：

2820-50-0;8IGM4I6Q6G;3,3,5-Triiodo-L-thyronine-13C6;NYB05523;3,3',5'-Triiodothyronine, DL-;NCGC00181338-01;3,3\\',5\\'-triiodothyronine;Q7318276;Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-;BDBM50078169;NCGC00181338-02;3,3',5'-Triiodo-DL-thyronine;CHEBI:28774;DL-3,3',5'-Triiodothyronine;rT3; 3,3',5'-Triiodothyronine; Reverse triiodothyronine;DTXSID50859929;AKOS032947550;4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenylalanine;O-(4-hydroxy-3,5-diiodophenyl)-3-iodotyrosine;UNII-8IGM4I6Q6G;3,3',5'-Trijod-DL-Thyronin;Reverse-triiodthyronine;GTPL2636;CHEMBL1312;DTXSID00274724;SCHEMBL429433;70-39-3;BCP28851;Alanine, 3-(4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl)-;

标识符

InChIKey：

HZCBWYNLGPIQRK-UHFFFAOYSA-N

Inchi：

1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)

SMILES：

IC1=C(C=CC(=C1)CC(C(=O)O)N)OC1C=C(C(=C(C=1)I)O)I

2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid(2820-50-0)物化性质

计算特性

精确分子量 : 650.7901Da
氢键供体数量 : 3
氢键受体数量 : 5
可旋转化学键数量 : 5
同位素质量 : 650.7901Da
重原子数量 : 23
复杂度 : 402
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.7
拓扑分子极性表面积 : 92.8Å²

2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid(2820-50-0)相关文献

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2. Organosulphur and organoselenium compounds as emerging building blocks for catalytic systems for O-arylation of phenols, a C–O coupling reaction
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3. 1H NMR studies on serum metabonomic changes over time in a kidney-Yang deficiency syndrome model
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4. Organoselenium compounds as mimics of selenoproteins and thiol modifier agents
Nilda V. Barbosa,Cristina W. Nogueira,Pablo A. Nogara,Andreza F. de Bem,Michael Aschner,Jo?o B. T. Rocha Metallomics 2017 9 1703
5. Chalcogen bonding in synthesis, catalysis and design of materials
Kamran T. Mahmudov,Maximilian N. Kopylovich,M. Fátima C. Guedes da Silva,Armando J. L. Pombeiro Dalton Trans. 2017 46 10121
6. Selective modification of a native protein in a patient tissue homogenate using palladium nanoparticles
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7. Selective modification of a native protein in a patient tissue homogenate using palladium nanoparticles
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8. Effects of dietary oxidized tyrosine products on insulin secretion via the thyroid hormone T3-regulated TRβ1–Akt–mTOR pathway in the pancreas
Yin-Yi Ding,Xue Tang,Xiang-Rong Cheng,Fang-Fang Wang,Zhu-Qing Li,Sha-Ji Wu,Xing-Ran Kou,Yonghui Shi,Guowei Le RSC Adv. 2017 7 54610
9. Bioinorganic and medicinal chemistry: aspects of gold(i)-protein complexes
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10. Effects of omega-3 polyunsaturated fatty acids on steroidogenesis and cellular development in PCOS rats
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2820-50-0 (2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid,DL-3,3',5'-Triiodothyronine)

2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid(2820-50-0)名称与标识符

名称

标识符

2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid(2820-50-0)物化性质

计算特性

2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid(2820-50-0)相关文献

目录