1.0 2016-09-30 23:19:11 UTC 2020-04-22 15:16:32 UTC BMDB0005869 BMDB05869 3,3'-Diiodothyronine 3,3'-diiodo-L-Thyronine 3,3'-T2 3-[4-(4-Hydroxy-3-iodophenoxy)-3-iodophenyl]-L-alanine L-3-[4-(4-Hydroxy-3-iodophenoxy)-3-iodophenyl]-alanine L-beta-[4-(4-Hydroxy-3-iodophenoxy)-3-iodophenyl]-alanine O-(4-Hydroxy-3-iodophenyl)-3-iodo-L-tyrosine O-(4-Hydroxy-3-iodophenyl)-3-iodo-tyrosine O-(4-Hydroxy-3-iodophenyl)-3-iodotyrosine 3,3'-Diiodothyronine, (L)-isomer 3,3'-Diiodothyronine, (L)-isomer, 125I-labeled 3,3'-Diiodothyronine, (DL)-isomer (2R)-2-Amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoate 3,3'-Diiodothyronine C15H13I2NO4 525.077 524.893394749 (2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid 3,3'-diiodo-L-thyronine 70-40-6 N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C=C1)C(O)=O InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m1/s1 CPCJBZABTUOGNM-GFCCVEGCSA-N belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Phenylalanine and derivatives 1-hydroxy-2-unsubstituted benzenoids Amino acids Amphetamines and derivatives Aralkylamines Aryl iodides Carbonyl compounds Carboxylic acids D-alpha-amino acids Diarylethers Diphenylethers Hydrocarbon derivatives Iodobenzenes Monoalkylamines Monocarboxylic acids and derivatives O-iodophenols Organic oxides Organoiodides Organopnictogen compounds Phenol ethers Phenoxy compounds Phenylpropanoic acids 1-hydroxy-2-unsubstituted benzenoid 2-halophenol 2-iodophenol 3-phenylpropanoic-acid Alpha-amino acid Amine Amino acid Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Aryl halide Aryl iodide Benzenoid Carbonyl group Carboxylic acid D-alpha-amino acid Diaryl ether Diphenylether Ether Halobenzene Hydrocarbon derivative Iodobenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organohalogen compound Organoiodide Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenol ether Phenoxy compound Phenylalanine or derivatives Primary aliphatic amine Primary amine Aromatic homomonocyclic compounds Solid logp 0.46 ALOGPS logs -3.96 ALOGPS logp 1.87 ChemAxon pka_strongest_acidic 0.75 ChemAxon pka_strongest_basic 9.5 ChemAxon iupac (2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid ChemAxon average_mass 525.077 ChemAxon mono_mass 524.893394749 ChemAxon smiles N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C=C1)C(O)=O ChemAxon formula C15H13I2NO4 ChemAxon inchi InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m1/s1 ChemAxon inchikey CPCJBZABTUOGNM-GFCCVEGCSA-N ChemAxon polar_surface_area 92.78 ChemAxon refractivity 100.06 ChemAxon polarizability 38.43 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 300136 Specdb::MsMs 300137 Specdb::MsMs 300138 Specdb::MsMs 342337 Specdb::MsMs 342338 Specdb::MsMs 342339 Specdb::MsMs 2291286 Specdb::MsMs 2291287 Specdb::MsMs 2291288 Specdb::MsMs 2643468 Specdb::MsMs 2643469 Specdb::MsMs 2643470 Specdb::CMs 15402 Specdb::CMs 38913 FDB023783 35430 53477796 C00037453 3,3'-Diiodothyronine