327-86-6 (酪氨酸,O-(4-羟基-3-碘苯基)-3,5-二碘-,Tyrosine,O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-)

CAS号:
327-86-6
中文名称:
酪氨酸,O-(4-羟基-3-碘苯基)-3,5-二碘-
英文名称:
Tyrosine,O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-
分子式:
C15H12I3NO4
分子量:
650.973501205444

酪氨酸,O-(4-羟基-3-碘苯基)-3,5-二碘-(327-86-6)名称与标识符

名称

英文别名:
Tyrosine,O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-;3,3',5-Triiodo-DL-thyronine;3,5,3'-Triiodo-DL-thyronine;Alanine,3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, DL- (8CI);DL-Triiodothyronine;DL-Tyrosine,O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-;Rathyronine;UNII-46XII7C16X;Detrothyronin;327-86-6;(2S)-2-azaniumyl-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate;D-Trijodthyronin;Pharmakon1600-01500778;NSC757435;SCHEMBL8301;46XII7C16X;NSC 46046;NCGC00021140-01;BDBM50178971;DT3 (VAN);(R)-2-Amino-3-(4-(4-hydroxy-3-iodphenoxy)-3,5-diiodphenyl)propionsaeure;D-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-;CCG-212884;Q27258967;3,5,3'-Triiodo-D-thyronine;Detrothyronine [INN];AB01562945_01;Alanine, 3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)-, D-;EINECS 227-203-9;3,3',5-Triiodo-D-thyronine;DTXSID501016651;Rathyronine, (r)-;Detrothyroninum;HMS2092K14;D-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)-alanine;SKF D 2623;(2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid;liothyronine-(isomer);Detrotironina;AKOS027383789;2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid;Triiodothyronine, D-;D-Alanine, 3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)-;DEXTROTHYRONINE;NSC-757435;NS00082292;NSC-46046;DETROTHYRONINE [MART.];NCGC00016993-01;Detrotironina [INN-Spanish];(R)-2-amino-3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)propanoic acid;5714-08-9;DT-3;CAS-1823692;(+)-Triiodothyronine;(R)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid;D-3,5,3'-Triiodothyronine;Dextro-3:5:3'-triiodothyronine;D-3-(4-(-Hydroxy-3-iodphenoxy)-3,5-diiodphenyl)alanin;Detrothyroninum [INN-Latin];CHEMBL557;SBI-0206705.P001;BRD-K46428823-001-01-7;Detrothyronine;

标识符

InChIKey:
AUYYCJSJGJYCDS-GFCCVEGCSA-N
Inchi:
1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m1/s1
SMILES:
IC1C(=C(C=C(C=1)C[C@H](C(=O)O)N)I)OC1C=CC(=C(C=1)I)O

酪氨酸,O-(4-羟基-3-碘苯基)-3,5-二碘-(327-86-6)物化性质

计算特性

  • 精确分子量 : 650.7901g/mol
  • 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 : 650.7901g/mol
  • 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 : 1
  • 不确定原子立构中心数量 : 0
  • 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 : 92.8Ų