sodium 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate

• ChemBase编号: 103573
• 分子式: C15H11I3NNaO4
• 平均质量: 672.95532
• 单一同位素质量: 672.77199612
• SMILES: [Na+].NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N.[Na+]
• InChI: InChI=1S/C15H12I3NO4.Na/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);/q;+1/p-1
• InChIKey: SBXXSUDPJJJJLC-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate
• IUPAC传统名: potassium 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate
• 别名: Liothyronine; O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine sodium salt; 3,3',5-TRIIODO-L-THYRONINE; 3,3',5-TRIIODO-L-THYRONINE SODIUM SALT γ-IRRADIATED; Liothyronine sodium; Sodium L-triiodothyronine; Cytobin; Cytomine; Cytomel; Cynomel; Tertroxin; Triothyrone; 3,3',5-TRIIODO-L-THYRONINE SODIUM SALT

登记号

• CAS号: 55-06-1
• EC号: 200-223-5
• PubChem SID: 162090424
• PubChem CID: 16760684

理论计算性质

• Acid pKa: 0.30246884
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 2.798151
• LogD (pH = 7.4): 2.7648876
• Log P: 2.798505
• 摩尔折射率: 124.2626 cm^3
• 极化性: 44.781998 Å^3
• 极化表面积: 95.61 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 205°C (dec.)

安全信息

• 保存条件: 0°C

产品相关信息

• 纯度: 95-98%

详细说明

MP Biomedicals - 02194584

Cell Culture Reagent
γ-Irradiated
Sodium Salt
Crystalline
Purity: 95-98%

MP Biomedicals - 02194585

Cell Culture Reagent
Sodium salt
Crystalline
Purity: 95-98%

MP Biomedicals - 02152171

Sodium Salt
Crystalline
Purity: 95-98%